1,3-프로판디아민-2,2-D2
1,3-Propanediamine
기본 정보
- CAS
352438-78-9- 표준 SMILES
NCCCN- InChIKey
XFNJVJPLKCPIBV-UHFFFAOYSA-N- 분자식
- C3H10N2
- 평균 분자량
- 74.13 g/mol
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-프로판디아민-2,2-D2
- 영어명
- 1,3-Propanediamine-2,2-d2
- 분자식
- C3H10N2
- 분자량
- 74.13
이름 및 동의어
1,3-diaminopropane1,3-Propanediamine109-76-2Trimethylenediamine1,3-Propylenediamine3-Aminopropylaminealpha,omega-PropanediamineCB3ISL56KG1,3-diaminepropaneNSC-8154DTXSID1021906CHEBI:15725
이름 더 보기
1,3-프로판디아민-2,2-D21,3-PropanediaMine--d21,3-Propanediamine-2,2-d21,3-Propane-2,2-d2-diamine
RefChem:72575DTXCID301906203-702-7611-082-8Propane-1,3-diamineMFCD00008228BRN 0605277AI3-25358
데이터베이스 식별자
- CAS
352438-78-9- 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)
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
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-Propane-2,2-d2-diamine (CAS# 352438-78-9) is a useful isotopically labeled research compound.
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