1,3-디아미노프로판
1,3-Propanediamine
기본 정보
- CAS
109-76-2- 표준 SMILES
NCCCN- InChIKey
XFNJVJPLKCPIBV-UHFFFAOYSA-N- 분자식
- C3H10N2
- 평균 분자량
- 74.13 g/mol
- 단동위원소 질량
- 74.08439833
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
1,3-diaminopropane1,3-Propanediamine109-76-2Trimethylenediamine1,3-Propylenediamine3-Aminopropylaminealpha,omega-Propanediamine1,3-diaminepropaneCB3ISL56KGNSC-8154DTXSID1021906CHEBI:15725
이름 더 보기
1,3-디아미노프로판1,3-프로판디아민1,3-프로필렌다이아민H2N(CH2)3NH213DAP3-Propanediamine1,3-DiaMinopropane, 99% 1LTFENTAMINE PDAAKOS BBS-000042811,3 Diaminopropan
RefChem:72575DTXCID301906203-702-7611-082-8Propane-1,3-diamine1,3-diaminopropanaminopropylamineMFCD00008228
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
Chemical ClassesNitrogen Compounds -> Amines, Aliphatic
SpringerMaterials Properties15N nuclear magnetic resonance spectrum
LogP
-1.43
-1.43
Density
0.881 at 68 °F (NTP, 1992) - Less dense than water; will float
0.8881 @25 °C
SolubilitySoluble (NTP, 1992)
Flash Point75 °F (NTP, 1992)
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
Vapor Density2.5 (NTP, 1992) - Heavier than air; will sink (Relative to Air)
Vapor Pressure11.5 [mmHg]
Food Contact SubstancesFCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
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)
REACH registered substance: Trimethylenediamine (EC: 203-702-7)
1,3-Diaminopropane: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationEvaluation - Chemicals that are unlikely to require further regulation to manage risks to environment
DOT LabelCorrosive Flammable Liquid
Fire HazardsThis compound is a flammable liquid. (NTP, 1992)
Health HazardsACUTE/CHRONIC HAZARDS: This compound is a strong irritant to eyes and skin: corrosive HAZARDOUS DECOMPOSITION PRODUCTS. (NTP, 1992)
Hazards Summary
화학 및 산업
약리 정보
Cellular LocationsCytoplasm
Metabolite Pathwaysbeta-Alanine metabolism
용도 및 제조
UsesUsed as an organic intermediate; [NTP]
U.S. Production2023: <50,000 lb
Industry UsesIntermediate
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.
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