기본 정보
- CAS
69852-45-5- 표준 SMILES
CN(C)CCCNCCC#N- InChIKey
YALMGFWDBZZMMB-UHFFFAOYSA-N- 분자식
- C8H17N3
- 평균 분자량
- 155.24 g/mol
- 단동위원소 질량
- 155.14224754
이름 및 식별자
- 우선 이름
- 3-((3-(Dimethylamino)propyl)amino)propanenitrile
- IUPAC
- 3-[3-(dimethylamino)propylamino]propanenitrile
- 현지명
- 3-[[3-(디메틸아미노)프로필]아미노]프로피오노니트릴
- 영어명
- 3-[[3-(dimethylamino)propyl]amino]propiononitrile
- 분자식
- C8H17N3
- 분자량
- 155.24
이름 및 동의어
3-{[3-(dimethylamino)propyl]amino}propanenitrile69852-45-5Araldite ZD4293-((3-(Dimethylamino)propyl)amino)propanenitrileDTXSID1044980UNII-3BY7SW35ETEINECS 274-159-13BY7SW35ETPropanenitrile, 3-((3-(dimethylamino)propyl)amino)-N-(2-Cyanoethyl)-3-(dimethylamino)propylamineN,N-Dimethyl-N'-cyanoethyl-1,3-diaminopropaneDTXCID9024980
이름 더 보기
3-[[3-(디메틸아미노)프로필]아미노]프로피오노니트릴3-((3-Dimethylaminopropyl)amino)propionitrilePropanenitrile, 3-3-(dimethylamino)propylamino-
Propanenitrile, 3-[[3-(dimethylamino)propyl]amino]-3-([3-(Dimethylamino)propyl]amino)propanenitrile3-[[3-(Dimethylamino)propyl]amino]propanenitrileRefChem:91991274-159-13-[[3-(Dimethylamino)propyl]amino]propiononitrile3-[3-(dimethylamino)propylamino]propanenitrile3-((3-(Dimethylamino)propyl)amino)propiononitrile
데이터베이스 식별자
- CAS
69852-45-5- PubChem CID
- 112322
- DTXSID
DTXSID1044980- ChEMBL
CHEMBL3182958- UNII
- 3BY7SW35ET
- EC Number
- 274-159-1
- Nikkaji
- J318.065D
물성
구조 계산 물성
- XLogP
- -0.1
- 극성 표면적
- 39.1 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 11
- 형식 전하
- 0
- 복잡도
- 123
실험 및 물리화학적 성질
Collision Cross Section130.8 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: APCI+; Dataset: TOXCAST; Source Identifier: DTXSID1044980]
물리화학적 성질
- 끓는 점
- 255.9 ℃[at · 255.9℃[at 101 325 Pa]
- 밀도
- 0.908 · 0.908[at 20℃]
- 증기압
- 3.4 Pa · 3.4Pa at 25℃
- 수용성
- 1000 g/L · 1000g/L at 20℃
- LogP
- -0.337 at · -0.337 at 23.3℃
- EPA
- 3 · Propanenitrile, 3-[[3-(dimethylamino)propyl]amino]- (69852-45-5)
안전 및 규제
GHS 분류
GHS Classification
Danger
H302 (96.4%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P264, P264+P265, P270, P273, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 110 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
REACH registered substance: 3-[[3-(dimethylamino)propyl]amino]propiononitrile (EC: 274-159-1)
Propanenitrile, 3-3-(dimethylamino)propylamino-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazard Classes and CategoriesAcute Tox. 4 (96.4%)
안전 데이터
- tsca
- TSCA listed
- risk_code
- 36
- hazard_code
- Xi
- safety_code
- 26
화학 및 산업
용도 및 제조
General Manufacturing InformationPropanenitrile, 3-[[3-(dimethylamino)propyl]amino]-: ACTIVE
공급사2 곳
常州合晶化工有限公司85528066 13775048983 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
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