Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
1-아미노에틸피페라진
1-(2-아미노에틸)피페라진 · 아미노에틸피페라진 · 1-아미노에틸피페라진 · 1-(2-아미노에틸)피퍼아진 · 2-피퍼아지-1-닐에틸아민 · N-아미노에틸피퍼아진 · AEP · 1-(2-AMINOETHYL)PIPERAZINE
식별자 및 물리적 특성
| CAS No. | 140-31-8 |
|---|---|
| 분자식 | C6H15N3 |
| 평균 분자량 | 129.2 g/mol |
| 단동위원소 질량 | 129.12659748 g/mol |
| SMILES | NCCN1CCNCC1 |
| InChIKey | IMUDHTPIFIBORV-UHFFFAOYSA-N |
| PubChem CID | 8795 |
| ChEMBL | CHEMBL209790 |
| EC No. | 205-411-0 |
| DTXSID | DTXSID2021997 |
| 현지명 | 1-아미노에틸피페라진 |
화학 및 물리적 성질
| XLogP | -1.3 |
|---|---|
| 극성 표면적 | 41.3 |
| 수소 결합 공여자 수 | 2 |
| 수소 결합 수용자 수 | 3 |
| 회전 가능 결합 수 | 2 |
| 무거운 원자 수 | 9 |
| 형식 전하 | 0 |
| 복잡도 | 68.7 |
| 물질 분류 | Nitrogen Compounds -> PiperazinesCorrosives |
| SpringerMaterials Properties | Boiling point |
| 밀도 | 0.9852 at 68 °F (USCG, 1999) - Less dense than waterwill float0.985 g/cu cm at 25 °C0.985 @25 °C0.985 g/mL at 25 °C(lit.) |
| Color/Form | Light-colored liquid |
| 용해도 | Soluble in water>1000g/L |
| 인화점 | 200 °F (USCG, 1999)93 °C200 °F (93 °C) open cup |
| 끓는 점 | 428 °F at 760 mmHg (USCG, 1999)220 °C222 °C @760 [mm Hg]218-222 °C(lit.) |
| Decomposition | When heated to decomposition it emits toxic fumes of /nitric oxides/. |
| 녹는점 | -2 °F (USCG, 1999)FP: 17.6 °C-20 °C-19 °C |
| 증기 밀도 | 4.4 (Air = 1)4.4 (vs air) |
| 후각 역치 | Odor Threshold Low: 0.1 [ppm] |
| 증기압 | 0.04 [mmHg]0.04 [mm Hg] @20 °C0.05 mm Hg ( 20 °C) |
| 굴절률 | n20/D 1.500 |
| 저장 조건 | Store below +30°C. |
| 물리적 상태 | 액체 |
| pKa(산도 계수) | 10.11±0.10(Predicted) |
| 색상 | 무색투명~미황색 |
| pH | 12 (100g/l, H2O, 20℃) |
| 폭발한계 | 2.1-10.5%(V) |
| 용해도 | 녹는 |
| BRN | 104363 |
| 헨리 상수 | 1.5×107 mol/(m3Pa) at 25℃, HSDB (2015) |
| 안정성 | 안정적인. 가연성. 산, 산무수물, 산염화물, 강산화제, 클로로포르메이트와 혼합할 수 없습니다. |
| InChI | 1S/C6H15N3/c7-1-4-9-5-2-8-3-6-9/h8H,1-7H2 |
| InChIKey | IMUDHTPIFIBORV-UHFFFAOYSA-N |
| SMILES | NCCN1CCNCC1 |
| LogP(분배 계수) | -1.48 at 20℃ |
| NIST | N-(2-Aminoethyl)piperazine(140-31-8) |
| EPA | 1-Piperazineethanamine (140-31-8) |
화학적 성질
N-Aminoethypiperazine is a combustible and corrosive aliphatic amine. It is a colorless to light yellow viscous liquid.
안전 및 규제
| GHS 분류 | DangerH302: Harmful if swallowed [Warning Acute toxicity, oral]P260, P261, P264, P270, P272, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P333+P317, P362+P364, P363, P405, and P501 (click each P-code to see the statement)H302 (94.3%): Harmful if swallowed [Warning Acute toxicity, oral]P260, P261, P262, P264, P264+P265, P270, P272, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P333+P317, P361+P364, P362+P364, P363, P405, and P501 (click each P-code to see the statement) |
|---|---|
| 규제 정보 | Chemical: 1-Piperazineethanamine1-Piperazineethanamine is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1-Piperazineethanamine are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)Status: Active Update: 15-12-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/16054The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.) |
| 운송 라벨(DOT) | Corrosive Poison |
| 화재 위험 | Special Hazards of Combustion Products: Toxic fumes of NO x (USCG, 1999)· Combustible material: may burn but does not ignite readily. |
| 건강 유해성 | INHALATION: Burning sensation, coughing, wheezing, laryngitis, shortness of breath, headache, nausea, and vomiting. EYES AND SKIN: Extremely destructive to mucous membranes, upper respiratory tract, eyes and skin. Causes burns on short contact. (USCG, 1999)· TOXIC and/or CORROSIVEinhalation, ingestion or skin contact with material may cause severe injury or death. |
| 유해성 요약 | Liquid causes second or third degree burns after short contact. [CHRIS] Pulmonary edema may result from inhalation of high concentrations. [NJ-HSFS] Can cause coughing, wheezing, and shortness of breath if inhaled[CAMEO] |
| 운송 번호 및 가이드(DOT) | 2815 153 |
| 반응성 그룹 | Amines, Phosphines, and Pyridines |
| Special Reports | European Commission, ESISIUCLID Dataset, 1-Aminoethylpiperazine (140-31-8) (2000 CD-ROM Edition) contains information on use, toxicology, and environmental effects of this chemical as supplied to the European Union by industry.[Available from, as of February 8, 2009: http://esis.jrc.ec.europa.eu/]Organisation for Economic Cooperation and DevelopmentScreening Information Data Set for Aminoethylpiperazine, CAS No. 140-31-8 (December 2005). This OECD Initial Assessment of HPV Chemicals is part of a series of OECD SIDS documents published by UNEP Chemicals to facilitate the access to information needed for health and environmental risk assessments of chemicals. |
| Reactivity Profile | N-AMINOETHYLPIPERAZINE neutralizes acids to form salts plus water in exothermic reactions. May be incompatible with isocyanates, halogenated organics, peroxides, phenols (acidic), epoxides, anhydrides, and acid halides. Flammable gaseous hydrogen is generated in combination with strong reducing agents, such as hydrides. |
| DOT Emergency Guidelines | /GUIDE 153: SUBSTANCES - TOXIC and/or CORROSIVE (Combustible)/ Fire or Explosion: Combustible material: may burn but does not ignite readily. When heated, vapors may form explosive mixtures with air: indoors, outdoors and sewers explosion hazards. Those substances designated with a (P) may polymerize explosively when heated or involved in a fire. Contact with metals may evolve flammable hydrogen gas. Containers may explode when heated. Runoff may pollute waterways. Substance may be transported in a molten form./GUIDE 153: SUBSTANCES - TOXIC and/or CORROSIVE (Combustible)/ Health: TOXICinhalation, ingestion or skin contact with material may cause severe injury or death. Contact with molten substance may cause severe burns to skin and eyes. Avoid any skin contact. Effects of contact or inhalation may be delayed. Fire may produce irritating, corrosive and/or toxic gases. Runoff from fire control or dilution water may be corrosive and/or toxic and cause pollution./GUIDE 153: SUBSTANCES - TOXIC and/or CORROSIVE (Combustible)/ Public Safety: CALL Emergency Response Telephone Number on Shipping Paper first. If Shipping Paper not available or no answer, refer to appropriate telephone number listed on the inside back cover. As an immediate precautionary measure, isolate spill or leak area in all directions for at least 50 meters (150 feet) for liquids and at least 25 meters (75 feet) for solids. Keep unauthorized personnel away. Stay upwind. Keep out of low areas. Ventilate enclosed areas./GUIDE 153: SUBSTANCES - TOXIC and/or CORROSIVE (Combustible)/ Protective Clothing: Wear positive pressure self-contained breathing apparatus (SCBA). Wear chemical protective clothing that is specifically recommended by the manufacturer. It may provide little or no thermal protection. Structural firefighters' protective clothing provides limited protection in fire situations ONLYit is not effective in spill situations where direct contact with the substance is possible.For more DOT Emergency Guidelines (Complete) data for N-(2-Aminoethyl)piperazine (8 total), please visit the HSDB record page. |
| DOT Hazard Classification | N-AminoethylpiperazineUN2815Class 8 Corrosive material (49 eCFR § 173.136)PG III: the degree of danger presented by the material is minor |
| Air and Water Reactions | Water soluble. |
| 소화 | Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]: |
| 누출 비상 조치 | · CALL 911. Then call emergency response telephone number on shipping paper. If shipping paper not available or no answer, refer to appropriate telephone number listed on the inside back cover.· ELIMINATE all ignition sources (no smoking, flares, sparks or flames) from immediate area. |
| 응급 처치 | INHALATION: Remove to fresh airif not breathing, give artificial respirationif breathing difficult, give oxygen.General First Aid: |
| 노출 관리 및 개인 보호 | · Wear positive pressure self-contained breathing apparatus (SCBA). |
| 소화 절차 | If material on fire or involved in fire: Do not extinguish fire unless flow can be stopped. Use water in flooding quantities as fog. Cool all affected containers with flooding quantities of water. Apply water from as far a distance as possible. Solid streams of water may be ineffective. Use "alcohol" foam, dry chemical, or carbon dioxide.Wear positive pressure self-contained breathing appartus when fighting fires involving this material. |
| 보관 조건 | Keep container tightly closed in a dry and well-ventilated place. Containers which are opened must be carefully resealed and kept upright to prevent leakage. |
| 정리 방법 | Use personal protective equipment. Avoid breathing vapors, mist or gas. Ensure adequate ventilation. Evacuate personnel to safe areas. Do not let product enter drains. Discharge into the environment must be avoided. Soak up with inert absorbent material and dispose of as hazardous waste. Keep in suitable, closed containers for disposal. |
| 비화재 누출 대응 | Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]: |
| 처리 방법 | Disposal of N-aminoethylpiperazine only via incineration at federal approved incinerators.This combustible material may be burned in a chemical incinerator equipped with an afterburner and scrubber. Observe all federal, state, and local environmental regulations. Contact a licensed professional waste disposal service to dispose of this material. |
| Preventive Measures | If material not on fire and not involved in fire: Keep sparks, flames, and other sources of ignition away. Keep material out of water sources and sewers. Build dikes to contain flow as necessary.Personnel protection: Avoid breathing vapors. Keep upwind. Avoid bodily contact with the material ... Do not handle broken packages unless wearing appropriate personal protective equipment. Wash away any material with may have contacted the body with copious amounts of water or soap and water ... If contact with the material anticipated, wear appropriate chemical protective clothing.Environmental considerations - land spill: Dig a pit, pond, lagoon, holding area to contain liquid or solid material. /SRP: If time permits, pits, ponds, lagoons, soak holes, or holding areas should be sealed with an impermeable flexible membrane liner./ Dike surface flow using soil, sand bags, foamed polyurethane, or foamed concrete. Absorb bulk liquid with fly ash, cement powder, or commercial sorbents.Avoid contact with skin and eyes. Avoid inhalation of vapor or mist. Keep away from sources of ignition - No smoking. Take measures to prevent the build up of electrostatic charge. |
| Isolation and Evacuation | Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:Immediate precautionary measure |
| Protective Action Criteria (PAC) | 6.3 [mg/m3]69 [mg/m3]420 [mg/m3] |
| 생태독성 수치 | LC50Species: Pimephales promelas (Fathead minnow, age 31 days, mean length 21.0 mm, mean weight 0.147 g)Conditions: flow through, 25.1 °C, pH 7.66, hardness 37.8 mg/L CaCO3, alkalinity 92.0 mg/L CaCO3, dissolved oxygen 6.1 mg/LConcentration: 2190 mg/L for 96 hr (95% confidence limit: 1950-2460 mg/L) /97% purity/ |
| 환경 거동 | TERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 43(SRC), determined from a structure estimation method(2), indicates that N-(2-aminoethyl)piperazine is expected to have very high mobility in soil(SRC). However, N-(2-aminoethyl)piperazine will exist primarily as a cation in the environment, and cations are expected to adsorb more strongly to soils containing organic carbon and clay than their neutral counterparts(3), suggesting that mobility may be much lower in some soils(SRC). Volatilization of N-(2-aminoethyl)piperazine from moist soil surfaces is not expected to be an important fate process(SRC) given an estimated Henry's Law constant of 6.6X10-13 atm-cu m/mole(SRC), using a fragment constant estimation method(4). N-(2-Aminoethyl)piperazine is not expected to volatilize from dry soil surfaces(SRC) based upon an estimated vapor pressure of 6.6X10-2 mm Hg at 25 °C(SRC), determined from a fragment constant method(5). Utilizing the Japanese MITI test, 0-1% of the theoretical BOD was reached in 4 weeks(6) indicating that biodegradation is not an important environmental fate process in soil(SRC).AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 43(SRC), determined from a structure estimation method(2), indicates that N-(2-aminoethyl)piperazine is not expected to adsorb to suspended solids and sediment(SRC). However, N-(2-aminoethyl)piperazine will exist primarily as a cation in the environment, and cations are expected to adsorb more strongly to soils containing organic carbon and clay than their neutral counterparts(3), suggesting that mobility may be much lower in some soils(SRC). Volatilization from water surfaces is not expected(4) based upon an estimated Henry's Law constant of 6.6X10-13 atm-cu m/mole(SRC), developed using a fragment constant estimation method(5). According to a classification scheme(6), an estimated BCF of 3(SRC), from an estimated log Kow of -1.6(7) and a regression-derived equation(8), suggests the potential for bioconcentration in aquatic organisms is low(SRC). Utilizing the Japanese MITI test, 0-1% of the theoretical BOD was reached in 4 weeks(9) indicating that biodegradation is not an important environmental fate process in water(SRC).ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), N-(2-aminoethyl)piperazine, which has an estimated vapor pressure of 6.6X10-2 mm Hg at 25 °C(SRC), determined from a fragment constant method(2), is expected to exist solely as a vapor in the ambient atmosphere. Vapor-phase N-(2-aminoethyl)piperazine is degraded in the atmosphere by reaction with photochemically-produced hydroxyl radicals(SRC)the half-life for this reaction in air is estimated to be 1.8 hrs(SRC), calculated from its rate constant of 2.1X10-10 cu cm/molecule-sec at 25 °C(SRC) that was derived using a structure estimation method(3). N-(2-Aminoethyl)piperazine does not contain chromophores that absorb at wavelengths >290 nm(4) and therefore is not expected to be susceptible to direct photolysis by sunlight(SRC). |
| 유해 작용 | Dermatotoxin - Skin burns. |
| Soil Adsorption/Mobility | Using a structure estimation method based on molecular connectivity indices(1), the Koc of N-(2-aminoethyl)piperazine can be estimated to be 43(SRC). According to a classification scheme(2), this estimated Koc value suggests that N-(2-aminoethyl)piperazine is expected to have very high mobility in soil. However, N-(2-aminoethyl)piperazine will exist primarily as a cation in the environment, and cations are expected to adsorb more strongly to soils containing organic carbon and clay than their neutral counterparts(3), suggesting that mobility may be much lower in some soils(SRC). |
| Human Toxicity Excerpts | /SIGNS AND SYMPTOMS/ Strong irritant to tissue.[Lewis RJ SrHawley's Condensed Chemical Dictionary 15th ed Wiley (2007)/SIGNS AND SYMPTOMS/ Inhalation: May be harmful if inhaled. Material is extremely destructive to the tissue of the mucous membranes and upper respiratory tract. Skin: Toxic if absorbed through skin. Causes skin burns. Eyes: Causes eye burns. Ingestion: May be harmful if swallowed. Causes burns./GENOTOXICITY/ Clastogenic activity /d-1-aminoethylpiperazine/ in cultured human lymphocytes was measured without S-9 mix at 100, 200, 300, and 400 ug/mLand with S-9 mix (24 and 48 hr sampling times) at 200, 400, 800, and 900 ug/m. Results were negative. |
| Artificial Pollution Sources | N-(2-Aminoethyl)piperazine's production and use as an epoxy curing agent, intermediate for pharmaceuticals, anthelmintics, surface-active agents, and synthetic fibers(1) may result in its release to the environment through various waste streams(SRC). |
| Environmental Biodegradation | AEROBIC: N-(2-Aminoethyl)piperazine, present at 100 mg/L, reached 0-1% of its theoretical BOD (one test result resulted in -1% theoretical BOD indicating toxicity) in 4 weeks using an activated sludge inoculum at 30 mg/L in the Japanese MITI test(1). |
| Environmental Bioconcentration | An estimated BCF of 3 was calculated in fish for N-(2-aminoethyl)piperazine(SRC), using an estimated log Kow of -1.6(1) and a regression-derived equation(2). According to a classification scheme(3), this BCF suggests the potential for bioconcentration in aquatic organisms is low(SRC). |
| Volatilization from Water/Soil | The Henry's Law constant for N-(2-aminoethyl)piperazine is estimated as 6.6X10-13 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This Henry's Law constant indicates that N-(2-aminoethyl)piperazine is expected to be essentially nonvolatile from water surfaces(2). N-(2-Aminoethyl)piperazine is not expected to volatilize from dry soil surfaces(SRC) based upon an estimated vapor pressure of 6.6X10-2 mm Hg(SRC), determined from a fragment constant method(3). |
| Non-Human Toxicity Excerpts | /LABORATORY ANIMALS: Acute Exposure/ Draize test /in rabbits (strain unidentified),/ 24 hour exposure time. Skin necrosis observed. Draize score 8.0/8.0 obtained using original Draize classification./LABORATORY ANIMALS: Acute Exposure/ 5 mg, 24 hour dermal exposure in rabbits (strain unidentified). Results: severe irritation./LABORATORY ANIMALS: Acute Exposure/ 100 ug open application to rabbit skin, 24 hour exposure. Results: Necrosis observed./LABORATORY ANIMALS: Acute Exposure/ Moderately irritating to rabbit eyes (strain not identified).For more Non-Human Toxicity Excerpts (Complete) data for N-(2-Aminoethyl)piperazine (12 total), please visit the HSDB record page. |
| Environmental Abiotic Degradation | The rate constant for the vapor-phase reaction of N-(2-aminoethyl)piperazine with photochemically-produced hydroxyl radicals has been estimated as 2.1X10-10 cu cm/molecule-sec at 25 °C(SRC) using a structure estimation method(1). This corresponds to an atmospheric half-life of about 1.8 hours at an atmospheric concentration of 5X10+5 hydroxyl radicals per cu cm(1). N-(2-Aminoethyl)piperazine is not expected to undergo hydrolysis in the environment due to the lack of functional groups that hydrolyze under environmental conditions(2). N-(2-Aminoethyl)piperazine does not contain chromophores that absorb at wavelengths >290 nm(2) and therefore is not expected to be susceptible to direct photolysis by sunlight(SRC). |
| Probable Routes of Human Exposure | According to the 2006 TSCA Inventory Update Report, the number of persons reasonably likely to be exposed in the industrial manufacturing, processing, and use persons for N-(2-aminoethyl)piperazine is 100 to 999the data may be greatly underestimated(1).NIOSH (NOES Survey 1981-1983) has statistically estimated that 60,625 workers (12,978 of these were female) were potentially exposed to N-(2-aminoethyl)piperazine in the US(1). Occupational exposure to N-(2-aminoethyl)piperazine may occur through inhalation and dermal contact with this compound at workplaces where N-(2-aminoethyl)piperazine is produced or used. Use data indicate that the general population may be exposed to N-(2-aminoethyl)piperazine via dermal contact with consumer products containing N-(2-aminoethyl)piperazine(SRC). |
| 수질 위해 등급(WGK) | 2 |
| TSCA 등재 상태 | TSCA listed |
| RTECS 번호 | TK8050000 |
| 운송 번호(UN) | UN 2815 |
| 독성 | LD50 orally in Rabbit: 1470 mg/kg |
| 관세 코드 | 29335995 |
| 위험 문구(R) | 21/22-34-43-52/53 |
| 위험 표시 | C |
| 안전 문구(S) | 26-36/37/39-45-61 |
| 포장분류 | III |
| 위험 등급 | 8Acute Tox. 3 DermalAcute Tox. 4 OralAquatic Chronic 3Skin Corr. 1BSkin Sens. 1 |
| 기존화학 물질 | KE-28762 |
| 자연 발화 온도 | 315 °C |
| 저장 분류 | 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects |
| 유해 물질 데이터 | 140-31-8(Hazardous Substances Data) |
용도
용도
Used for studying corrosion inhibition
일반 설명
N-aminoethylpiperazine appears as a colorless liquid with a faint fishlike odor. Flash point 199 °F. Corrosive to tissue. Toxic oxides of nitrogen are produced by combustion.
제조 및 합성 방법
제조 방법
he synthesis of N-(2-aminoethyl) piperazine from PZ and MEA in the presence of CO2 was conducted using a method similar to that of thermal degradation experiments. 7 m PZ/2 m MEA with 0.3 mol CO2 /mol alkalinity was placed in -inch OD 316 stainless steel thermal cylinders , which were then sealed and placed in a convection oven held at 150 °C. Cylinders were removed periodically and samples were analyzed using ion chromatography.