기본 정보
- CAS
93940-97-7- 표준 SMILES
CC1(C)CC(NCCC#N)CC(C)(CNCCC#N)C1- InChIKey
HEUAYLFWKXGPEA-UHFFFAOYSA-N- 분자식
- C16H28N4
- 평균 분자량
- 276.42 g/mol
- 단동위원소 질량
- 276.23139691
이름 및 식별자
- 우선 이름
- 3-((3-(((2-Cyanoethyl)amino)methyl)-3,5,5-trimethylcyclohexyl)amino)propiononitrile
- IUPAC
- 3-[[5-(2-cyanoethylamino)-1,3,3-trimethylcyclohexyl]methylamino]propanenitrile
- 현지명
- 3-[[3-[[(2-시아노에틸)아미노]메틸]-3,5,5-트리메틸시클로헥실]아미노]프로피오노니트릴
- 영어명
- 3-[[3-[[(2-cyanoethyl)amino]methyl]-3,5,5-trimethylcyclohexyl]amino]propiononitrile
- 분자식
- C16H28N4
- 분자량
- 276.42
이름 및 동의어
EINECS 300-496-13-[[3-[[(2-CYANOETHYL)AMINO]METHYL]-3,5,5-TRIMETHYLCYCLOHEXYL]AMINO]PROPIONONITRILE3-((3-(((2-Cyanoethyl)amino)methyl)-3,5,5-trimethylcyclohexyl)amino)propiononitrilePropanenitrile, 3-((3-(((2-cyanoethyl)amino)methyl)-3,5,5-trimethylcyclohexyl)amino)-Propanenitrile, 3-[[3-[[(2-cyanoethyl)amino]methyl]-3,5,5-trimethylcyclohexyl]amino]-RefChem:488388Propanenitrile, 3-3-(2-cyanoethyl)aminomethyl-3,5,5-trimethylcyclohexylamino-300-496-193940-97-73-[[5-(2-cyanoethylamino)-1,3,3-trimethylcyclohexyl]methylamino]propanenitrile3-(((5-((2-Cyanoethyl)amino)-1,3,3-trimethylcyclohexyl)methyl)amino)propanenitrileC16H28N4
이름 더 보기
3-[[3-[[(2-시아노에틸)아미노]메틸]-3,5,5-트리메틸시클로헥실]아미노]프로피오노니트릴Biscyanoethyl IPDAN,N'-biscyanoethylisophoronediamine
SCHEMBL5490313DTXSID70916987HEUAYLFWKXGPEA-UHFFFAOYSA-NMFCD115000333-[(3-{[(2-CYANOETHYL)AMINO]METHYL}-3,5,5-TRIMETHYLCYCLOHEXYL)AMINO]PROPANENITRILENS000643703-[[5-(2-cyanoethylamino)-1,3,3-trimethyl-cyclohexyl]methylamino]propanenitrile
물성
구조 계산 물성
- XLogP
- 2.1
- 극성 표면적
- 71.6 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 20
- 형식 전하
- 0
- 복잡도
- 397
실험 및 물리화학적 성질
Physical DescriptionLiquid
물리화학적 성질
- 끓는 점
- 444.6 · 444.6±30.0 °C(Predicted)
- 밀도
- 0.99 · 0.99±0.1 g/cm3(Predicted)
- 증기압
- 0 Pa · 0Pa at 20℃
- 산도 계수 (pKa)
- 8.62 · 8.62±0.60(Predicted)
- 수용성
- 32 g/L · 32g/L at 20℃
- LogP
- 2 at · 2 at 23℃
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P272, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P333+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 106 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Propanenitrile, 3-[[3-[[(2-cyanoethyl)amino]methyl]-3,5,5-trimethylcyclohexyl]amino]- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Propanenitrile, 3-[[3-[[(2-cyanoethyl)amino]methyl]-3,5,5-trimethylcyclohexyl]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)
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
REACH registered substance: 3-[[3-[[(2-cyanoethyl)amino]methyl]-3,5,5-trimethylcyclohexyl]amino]propiononitrile (EC: 300-496-1)
Propanenitrile, 3-3-(2-cyanoethyl)aminomethyl-3,5,5-trimethylcyclohexylamino-: 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 (100%)
안전 데이터
- tsca
- TSCA listed
화학 및 산업
용도 및 제조
U.S. Production2023: 1,000,000 - <2,500,000 lb
Industry UsesOther
General Manufacturing Information
All Other Basic Organic Chemical Manufacturing
Propanenitrile, 3-[[3-[[(2-cyanoethyl)amino]methyl]-3,5,5-trimethylcyclohexyl]amino]-: ACTIVE
공급사2 곳
湖南嘉航医药科技有限公司85567275 18932438858 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
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