기본 정보
- CAS
67906-60-9- 표준 SMILES
CCN(CCC#N)c1ccc(N=Nc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)c(C)c1- InChIKey
DSWGJDDMNDOKIV-UHFFFAOYSA-N- 분자식
- C19H21N5O4S
- 평균 분자량
- 415.5 g/mol
- 단동위원소 질량
- 415.13142534
이름 및 식별자
- 우선 이름
- Propanenitrile, 3-[ethyl[3-methyl-4-[[2-(methylsulfonyl)-4-nitrophenyl]azo]phenyl]amino]-
- IUPAC
- 3-[N-ethyl-3-methyl-4-[(2-methylsulfonyl-4-nitrophenyl)diazenyl]anilino]propanenitrile
- 영어명
- 3-[ethyl[3-methyl-4-[[2-(methylsulphonyl)-4-nitrophenyl]azo]phenyl]amino]propiononitrile
- 분자식
- C19H21N5O4S
- 분자량
- 415.47
이름 및 동의어
67906-60-9Propanenitrile, 3-[ethyl[3-methyl-4-[[2-(methylsulfonyl)-4-nitrophenyl]azo]phenyl]amino]-Propanenitrile, 3-(ethyl(3-methyl-4-((2-(methylsulfonyl)-4-nitrophenyl)azo)phenyl)amino)-Propanenitrile, 3-(ethyl(3-methyl-4-(2-(2-(methylsulfonyl)-4-nitrophenyl)diazenyl)phenyl)amino)-EINECS 267-728-03-(Ethyl(3-methyl-4-((2-(methylsulfonyl)-4-nitrophenyl)azo)phenyl)amino)propanenitrilePropanenitrile, 3-[ethyl[3-methyl-4-[2-[2-(methylsulfonyl)-4-nitrophenyl]diazenyl]phenyl]amino]-LHV55JXX9TDTXSID8070837DSWGJDDMNDOKIV-UHFFFAOYSA-NNS000362823-(Ethyl(3-methyl-4-((2-(methylsulphonyl)-4-nitrophenyl)azo)phenyl)amino)propiononitrile
이름 더 보기
3-[Ethyl[3-methyl-4-[[2-(methylsulfonyl)-4-nitrophenyl]azo]phenyl]amino]propiononitrile3-[ethyl[3-methyl-4-[[2-(methylsulphonyl)-4-nitrophenyl]azo]phenyl]amino]propiononitrile
3-[Ethyl(4-{[2-(methanesulfonyl)-4-nitrophenyl]diazenyl}-3-methylphenyl)amino]propanenitrile3-[Ethyl[3-methyl-4-[2-[2-(methylsulfonyl)-4-nitrophenyl]diazenyl]phenyl]amino]propanenitrile
물성
구조 계산 물성
- XLogP
- 3.3
- 극성 표면적
- 140 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 29
- 형식 전하
- 0
- 복잡도
- 736
물리화학적 성질
- 끓는 점
- 692.6 · 692.6±55.0 °C(Predicted)
- 밀도
- 1.29 · 1.29±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 2.28 · 2.28±0.50(Predicted)
- EPA
- 3 · Propanenitrile, 3-[ethyl[3-methyl-4-[[2-(methylsulfonyl)-4-nitrophenyl]azo]phenyl]amino]- (67906-60-9)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
안전 데이터
- tsca
- TSCA listed
화학 및 산업
용도 및 제조
General Manufacturing InformationPropanenitrile, 3-[ethyl[3-methyl-4-[2-[2-(methylsulfonyl)-4-nitrophenyl]diazenyl]phenyl]amino]-: INACTIVE
관련 반응
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