기본 정보
- 표준 SMILES
NCCCN- InChIKey
XFNJVJPLKCPIBV-UHFFFAOYSA-N- 분자식
- C3H10N2
- 평균 분자량
- 74.13 g/mol
- 단동위원소 질량
- 74.08439832
개요
1,3-diaminopropane is a water-white mobile liquid with an odor of amine. (NTP, 1992)
이름 및 식별자
- 우선 이름
- 1,3-Propanediamine
- IUPAC
- propane-1,3-diamine
- 현지명
- 1,3-디아미노프로판
- 영어명
- 1,3-Diaminopropane
- 분자식
- C3H10N2
- 분자량
- 74.12
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
109-76-2、54018-94-9- PubChem CID
- 428
- DTXSID
DTXSID1021906- ChEMBL
CHEMBL174324- ChEBI
CHEBI:15725- UNII
- CB3ISL56KG
- EC Number
- 203-702-7、611-082-8
- Nikkaji
- J1.969K
물성
구조 계산 물성
- XLogP
- -1.4
- 극성 표면적
- 52 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 5
- 형식 전하
- 0
- 복잡도
- 12.4
실험 및 물리화학적 성질
LogP
-1.43
-1.43
Density
0.881 at 68 °F (NTP, 1992) - Less dense than water; will float
0.8881 @25 °C
Boiling Point
275.9 °F at 738 mmHg (NTP, 1992)
139.80 °C. @ 760.00 mm Hg
Melting Point
10 °F (NTP, 1992)
-12 °C
-12 °C
Physical Description
1,3-diaminopropane is a water-white mobile liquid with an odor of amine. (NTP, 1992)
Liquid
Colorless to yellow liquid with an amine odor; [CHEMINFO (MSDS)] Colorless liquid with an odor of amines; [CAMEO]
Liquid
물리화학적 성질
- 녹는점
- -12 °C · -12 °C
- 끓는 점
- 140 °C · 140 °C(lit.)
- 밀도
- 0.888 g/mL · 0.888 g/mL at 25 °C(lit.)
- 증기압
- 8 mm · <8 mm Hg ( 20 °C)
- 굴절률
- 20 · n20/D 1.458(lit.)
- 인화점
- 120 °F · 120 °F
- 저장 조건
- 30 °C · Store below +30°C.
- 용해도
- DMSO(약간 용해됨), 메탄올(약간 용해됨)
- 산도 계수 (pKa)
- 10.94 · 10.94(at 10℃)
- 물리적 상태
- 액체
- 색상
- 투명한
- 수소이온지수(pH)
- 12 · >12 (100g/l, H2O, 20℃)
- 폭발한계
- 2.8 · 2.8-15.2%(V)
- 수용성
- 녹는
- BRN
- 605277 · 605277
- Dielectric constant
- 9.6 · 9.6(Ambient)
- 안정성
- 안정적인. 흡습성. 가연성 - 공기와 쉽게 폭발성 혼합물을 형성합니다. 산 무수물, 산 염화물, 산, 강산화제와 호환되지 않습니다.
- InChI
- 1S/C3H10N2/c4-2-1-3-5/h1-5H2
- InChIKey
- XFNJVJPLKCPIBV-UHFFFAOYSA-N
- SMILES
- NCCCN
- LogP
- -1.05 at · -1.05 at 25℃
- NIST
- 1 · 1,3-Propanediamine(109-76-2)
- EPA
- 1 · 1,3-Diaminopropane (109-76-2)
화학적 성질
colourless liquid
안전 및 규제
GHS 분류
GHS Classification
Danger
H226 (99.6%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P260, P261, P262, P264, P264+P265, P270, P271, P272, P280, P284, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P330, P333+P317, P342+P316, P361+P364, P362+P364, P363, P370+P378, P403, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 251 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Danger
H225: Highly Flammable liquid and vapor [Danger Flammable liquids]
유해성 정보
Regulatory Information
Chemical: 1,3-Propanediamine
1,3-Propanediamine is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,3-Propanediamine 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: 10-12-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/11978
1,3-Diaminopropane: Does not have an individual approval but may be used under an appropriate group standard
Hazards Summary
Corrosive to skin; [Quick CPC] Highly irritating or corrosive to skin and eyes; [NTP] Causes burns; Inhalation may cause corrosive injuries to upper respiratory tract and lungs; Harmful by ingestion; Toxic by skin absorption; [Alfa Aesar MSDS]
Hazard Classes and Categories
Flam. Liq. 3 (99.6%)
Flammable liquids - Category 2
안전 및 보호
Fire Fighting
This compound is not very flammable but any fire involving this compound may produce dangerous vapors. You should evacuate the area. All firefighters should wear full-body protective clothing and use self-contained breathing apparatuses. You should extinguish any fires involving this chemical with a dry chemical, carbon dioxide, foam, or halon extinguisher. (NTP, 1992)
First Aid
EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.
Nonfire Spill Response
SMALL SPILLS AND LEAKAGE: If you should spill this chemical, use absorbent paper to pick up all liquid spill material. Seal the absorbent paper, as well as any of your clothing which may be contaminated, in a vapor-tight plastic bag for eventual disposal. Wash any surfaces you may have contaminated with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.
Protective Action Criteria (PAC)
0.93 [mg/m3]
10 [mg/m3]
62 [mg/m3]
독성 정보
안전 데이터
- wgk
- 2
- tsca
- TSCA listed
- rtecs
- TX6825000
- ridadr
- UN 2922 8/PG 2
- 독성
- LD50 orally in Rabbit: 700 mg/kg LD50 dermal Rabbit 200 mg/kg
- HS 번호
- 29212900
- risk_code
- 10-22-24-35
- hazard_code
- T,C
- safety_code
- 26-36/37/39-45-25-16
- 포장분류
- III
- 위험 등급
- 3
- 기존화학 물질
- KE-29259
- F 고인화성물질
- 34
- 자연 발화 온도
- 662 °F
- Hazard Classifications
- Acute Tox. 2 DermalAcute Tox. 4 OralEye Dam. 1Flam. Liq. 3Met. Corr. 1Resp. Sens. 1BSkin Corr. 1BSkin Sens. 1B
- 스토리지 클래스
- 3 - Flammable liquids
화학 및 산업
약리 정보
용도 및 제조
General Manufacturing Information
All Other Basic Organic Chemical Manufacturing
1,3-Propanediamine: ACTIVE
응용 분야
용도1,3-Diaminopropane is commonly used in the preparation of cholinesterase inhibitors and thrombosis inhibitors. It is also used as a polymer cross linkage agent, polyurethane extender and spray coatings. It is involved in the preparation of agrochemicals and pharmaceutical intermediates. Further, it acts as a building block in the synthesis of heterocyclic compounds, which finds application in textile finishing. In addition to this, it is used as a ligand and form coordination complexes. 1,3-Diaminopropane is also utilized for the production of a chelating agent used in the photo industry and for anticorrosion agents.
일반 설명Water-white mobile liquid with an odor of amine.
제조 방법
생산 방법1,3-Diaminopropane is produced in a twostage continuous process, under a pressure of 10 – 20 MPa. In a first reactor, acrylonitrile reacts with excess ammonia at 70 – 100 ℃ to give 2-aminopropionitrile and bis(cyanoethyl) amine. The mixture of aminonitriles is then hydrogenated in a downstream reactor over a fixed-bed catalyst (cobalt or nickel) at 60 – 120 ℃ to give 1,3-diaminopropane and bis (aminopropyl)amine. The yield of 1,3- diaminopropane can be increased by adding a polar solvent and water or by using a large excess of ammonia.
상·하류 제품 정보
상류 원료
하류 제품
공급사50 곳
추가 설명
정의ChEBI: 1,3-Diaminopropane is an alkane-alpha,omega-diamine comprising a propane skeleton with amino substituents at positions 1 and 3. It has a role as a reagent, a human metabolite and a mouse metabolite. It is a conjugate base of a trimethylenediaminium.
관련 반응
연결된 노트
불러오는 중…