기본 정보
- 표준 SMILES
NCCCO- InChIKey
WUGQZFFCHPXWKQ-UHFFFAOYSA-N- 분자식
- C3H9NO
- 평균 분자량
- 75.11 g/mol
- 단동위원소 질량
- 75.06841391
개요
N-propanolamine is a colorless to pale yellow liquid with a fishy odor. Less dense than water. Melting point 12.4 °C (54 °F). Moderately toxic by ingestion.
이름 및 식별자
- 우선 이름
- 3-Amino-1-propanol
- IUPAC
- 3-aminopropan-1-ol
- 현지명
- 3-아미노프로판올
- 영어명
- 3-Aminopropanol
- 분자식
- C3H9NO
- 분자량
- 75.11
이름 및 동의어
3-Aminopropan-1-ol3-Aminopropanol3-Amino-1-propanol156-87-61-Propanol, 3-amino-PROPANOLAMINE3-Aminopropyl alcohol3-Propanolamine3-Hydroxypropylamine1-Amino-3-propanol1,3-Propanolamine1-Amino-3-hydroxypropane
이름 더 보기
3-아미노-1-프로파놀3-아미노프로파놀3-아미노프로판올프로판올아민3-아미노-1-프로판올monopropanolamine3-Hydroxy-1-aminopropane3-AIMNOPROPANOL
beta-Alaninolgamma-Aminopropanol3-Hydroxy-1-propylaminegamma-Hydroxy-1-propylamineYMA7C44XGYNSC-7766DTXSID0059746CHEBI:143408
데이터베이스 식별자
- CAS
156-87-6- PubChem CID
- 9086
- DTXSID
DTXSID0059746- ChEMBL
CHEMBL115530- ChEBI
CHEBI:143408- UNII
- YMA7C44XGY
- EC Number
- 205-864-4
- Nikkaji
- J2.560G
물성
구조 계산 물성
- XLogP
- -1.1
- 극성 표면적
- 46.3 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 5
- 형식 전하
- 0
- 복잡도
- 16.4
실험 및 물리화학적 성질
Chemical ClassesNitrogen Compounds -> Amino Alcohols, Other
SpringerMaterials Properties15N nuclear magnetic resonance spectrum
Density
0.982 at 68 °F (USCG, 1999) - Less dense than water; will float
0.9824 @ 26 °C/4 °C
0.985 @25 °C
Color/FormCOLORLESS LIQUID
Solubility
SOL IN WATER, ALCOHOL & ETHER
MISCIBLE WITH ACETONE & CHLOROFORM
Flash Point
175 °F (USCG, 1999)
175 °F
Boiling Point
369.5 °F at 760 mmHg (USCG, 1999)
187-188 °C @ 756 MM HG
187 °C @760 [mm Hg]
Melting Point
52 °F (USCG, 1999)
12.4 °C
-2 °C
Vapor Pressure
0.07 [mmHg]
0.4 [mm Hg] @25 °C
Refractive IndexINDEX OF REFRACTION: 1.4617 @ 20 °C
Physical Description
N-propanolamine is a colorless to pale yellow liquid with a fishy odor. Less dense than water. Melting point 12.4 °C (54 °F). Moderately toxic by ingestion.
CBI; Liquid
Colorless to pale yellow liquid with a fishy odor; mp = 12.4 deg C; [CAMEO] Colorless liquid with an odor of amines; mp = 11 deg C; [Alfa Aesar MSDS]
물리화학적 성질
- 녹는점
- 10 · 10-12 °C (lit.)
- 끓는 점
- 184 · 184-187 °C (lit.)
- 밀도
- 0.982 g/mL · 0.982 g/mL at 20 °C (lit.)
- 증기 밀도
- 2.59 · 2.59 (vs air)
- 증기압
- 2.1 mm · 2.1 mm Hg ( 20 °C)
- 굴절률
- 20 · n20/D 1.4598(lit.)
- 인화점
- 175 °F · 175 °F
- 저장 조건
- 30 °C · Store below +30°C.
- 용해도
- 물에 용해
- 물리적 상태
- 액체
- 산도 계수 (pKa)
- 1 · pK1: 9.96(+1) (25°C)
- Specific Gravity
- 0.99 · 0.990 (20/4℃)
- 색상
- 투명하고 무색에서 아주 약간 노란색을 띤다.
- 수소이온지수(pH)
- 11.6 · 11.6 (10g/l, H2O, 20℃)
- 폭발한계
- 2.5 · 2.5-10.6%(V)
- 수용성
- 혼용 가능
- BRN
- 741855 · 741855
- 안정성
- 흡습성
- InChI
- 1S/C3H9NO/c4-2-1-3-5/h5H,1-4H2
- InChIKey
- WUGQZFFCHPXWKQ-UHFFFAOYSA-N
- SMILES
- NCCCO
- LogP
- -1.1 at · -1.1 at 20℃
- NIST
- 1 · 1-Propanol, 3-amino-(156-87-6)
- EPA
- 3 · 3-Aminopropanol (156-87-6)
화학적 성질
clear colourless to very slightly yellow liquid
안전 및 규제
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 0.4% (1 of 259) of reports.
Danger
H302 (92.7%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P264, P264+P265, P270, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 259 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Danger
유해성 정보
Regulatory Information
Chemical: 1-Propanol, 3-amino-
1-Propanol, 3-amino- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1-Propanol, 3-amino- 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: 17-03-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/13762
3-Amino-1-propanol: Does not have an individual approval but may be used under an appropriate group standard
DOT LabelCorrosive
Fire HazardsSpecial Hazards of Combustion Products: Toxic oxides of nitrogen may form in fire.
Health HazardsIf inhaled may be harmful. Contact may cause burns to skin and eyes. (Organic base.) (USCG, 1999)
Hazards Summary
A severe eye and moderate to severe skin irritant; [RTECS] Moderately toxic by ingestion; [CAMEO] A moderate irritant; [HSDB] A fairly severe skin irritant that may cause second-degree burns following a few minutes contact; Causes irritation or burns to eyes; Vapors cause moderate irritation; [CHRIS] Causes burns; Inhalation may cause corrosive injuries to upper respiratory tract and lungs; Harmful by ingestion and skin absorption; [Alfa Aesar MSDS]
Reactive GroupAlcohols and Polyols
Reactivity Profile
N-PROPANOLAMINE neutralizes acids to form salts plus water in an exothermic reaction. May be incompatible with isocyanates, halogenated organics, peroxides, phenols (acidic), epoxides, anhydrides, and acid halides. Reacts with strong reducing agents, such as hydrides to generate flammable gaseous hydrogen.
Air and Water ReactionsWater soluble.
Hazard Classes and Categories
Acute Tox. 4 (92.7%)
Flammable liquids - Category 4
안전 및 보호
Fire FightingFire Extinguishing Agents: Small fires: Dry chemical, CO2, water spray or alcohol foam. Large fires: Water spray, fog or alcohol foam. (USCG, 1999)
First AidINHALATION: Move victim to fresh air. If not breathing, give artificial respiration. If breathing is difficult, give oxygen.
Nonfire Spill ResponseNeutralizing Agents for Acids and Caustics: Cover spilled material with sodium bisulfate. Flush with water. (USCG, 1999)
Isolation and EvacuationExcerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
Protective Action Criteria (PAC)
4.0 [mg/m3]
44 [mg/m3]
270 [mg/m3]
Personal Protective Equipment (PPE)Wear butyl rubber gloves and face shield or all-purpose canister respirator for spills. Wear self-contained breathing apparatus and full protective clothing for fires. (USCG, 1999)
독성 정보
Adverse EffectsDermatotoxin - Skin burns.
Human Toxicity ExcerptsMODERATELY TOXIC BY INGESTION; MODERATE IRRITANT TO TISSUE.
안전 데이터
- wgk
- 1
- tsca
- TSCA listed
- rtecs
- UA5600000
- ridadr
- UN 2735 8/PG 2
- 독성
- LD50 orally in Rabbit: 1300 mg/kg LD50 dermal Rat > 2000 mg/kg
- HS 번호
- 29221980
- risk_code
- 22-34-20/21/22
- hazard_code
- C,Xn
- safety_code
- 26-36/37/39-45
- 포장분류
- II
- 위험 등급
- 8
- 기존화학 물질
- KE-01568
- 자연 발화 온도
- 770 °F
- Hazard Classifications
- Acute Tox. 4 OralEye Dam. 1Skin Corr. 1B
- 스토리지 클래스
- 8A - Combustible corrosive hazardous materials
- 유해 물질 데이터
- 156-87-6(Hazardous Substances Data)
화학 및 산업
용도 및 제조
Uses
Used as a chemical intermediate; [HSDB]
CHEM INT FOR DEXPANTHENOL, A GASTROINTESTINAL DRUG
Organic intermediate
U.S. Exports
(1977) No Data
(1979) No Data
U.S. Imports
(1977) No Data
(1979) No Data
U.S. Production
2023: 100,000 - <250,000 lb
(1977) No Data
(1980) PROBABLY GREATER THAN 2.27X10+6 GRAMS
Industry UsesOther
Formulations/PreparationsGRADE: 99% PURE.
General Manufacturing Information
Oil and Gas Drilling, Extraction, and Support activities
1-Propanol, 3-amino-: ACTIVE
응용 분야
용도Organic intermediate.
일반 설명Colorless to pale yellow liquid with a fishy odor. Less dense than water. Melting point 12.4°C (54°F). Moderately toxic by ingestion.
상·하류 제품 정보
상류 원료
하류 제품
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