기본 정보
- CAS
63467-08-3- 표준 SMILES
CC(=O)OCCN(CCC#N)c1ccc(N=Nc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)cc1- InChIKey
BBCMFXGIGGXVPH-UHFFFAOYSA-N- 분자식
- C20H21N5O6S
- 평균 분자량
- 459.5 g/mol
- 단동위원소 질량
- 459.12125458
이름 및 식별자
- 우선 이름
- Propanenitrile, 3-[[2-(acetyloxy)ethyl][4-[2-[2-(methylsulfonyl)-4-nitrophenyl]diazenyl]phenyl]amino]-
- IUPAC
- 2-[N-(2-cyanoethyl)-4-[(2-methylsulfonyl-4-nitrophenyl)diazenyl]anilino]ethyl acetate
- 영어명
- 2-[(2-cyanoethyl)[4-[[2-(methylsulphonyl)-4-nitrophenyl]azo]phenyl]amino]ethyl acetate
- 분자식
- C20H21N5O6S
- 분자량
- 459.48
이름 및 동의어
EINECS 264-221-6Propanenitrile, 3-[[2-(acetyloxy)ethyl][4-[[2-(methylsulfonyl)-4-nitrophenyl]azo]phenyl]amino]-DTXSID7069867Propanenitrile, 3-((2-(acetyloxy)ethyl)(4-((2-(methylsulfonyl)-4-nitrophenyl)azo)phenyl)amino)-Propanenitrile, 3-((2-(acetyloxy)ethyl)(4-(2-(2-(methylsulfonyl)-4-nitrophenyl)diazenyl)phenyl)amino)-Propanenitrile, 3-[[2-(acetyloxy)ethyl][4-[2-[2-(methylsulfonyl)-4-nitrophenyl]diazenyl]phenyl]amino]-RefChem:869018DTXCID004389063467-08-32-((2-Cyanoethyl)(4-((2-(methylsulphonyl)-4-nitrophenyl)azo)phenyl)amino)ethyl acetateDZT65QQK5LBBCMFXGIGGXVPH-UHFFFAOYSA-N
이름 더 보기
2-[(2-cyanoethyl)[4-[[2-(methylsulphonyl)-4-nitrophenyl]azo]phenyl]amino]ethyl acetate3-[[2-(acetyloxy)ethyl][4-[[2-(methylsulfonyl)-4-nitrophenyl]azo]phenyl]amino]-PropanenitrileAcetic acid 2-[(2-cyanoethyl)[4-[[4-nitro-2-(methylsulfonyl)phenyl]azo]phenyl]amino]ethyl ester
DB-313220NS000354632-((2-Cyanoethyl)(4-((2-(methylsulfonyl)-4-nitrophenyl)azo)phenyl)amino)ethyl acetate2-[(2-Cyanoethyl)[4-[[2-(methylsulphonyl)-4-nitrophenyl ]azo]phenyl ]amino]ethyl acetate2-[(2-Cyanoethyl)(4-{[2-(methanesulfonyl)-4-nitrophenyl]diazenyl}phenyl)amino]ethyl acetate3-[[2-(Acetyloxy)ethyl][4-[2-[2-(methylsulfonyl)-4-nitrophenyl]diazenyl]phenyl]amino]propanenitrile
물성
구조 계산 물성
- XLogP
- 2.5
- 극성 표면적
- 166 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 10
- 회전 가능 결합 수
- 10
- 무거운 원자 수
- 32
- 형식 전하
- 0
- 복잡도
- 820
물리화학적 성질
- EPA
- 3 · Propanenitrile, 3-[[2-(acetyloxy)ethyl][4-[[2-(methylsulfonyl)-4-nitrophenyl]azo]phenyl]amino]- (63467-08-3)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
유해성 정보
Regulatory InformationChemical: Propanenitrile, 3-[[2-(acetyloxy)ethyl][4-[[2-(methylsulfonyl)-4-nitrophenyl]azo]phenyl]amino]-
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
안전 데이터
- tsca
- TSCA listed
화학 및 산업
용도 및 제조
General Manufacturing InformationPropanenitrile, 3-[[2-(acetyloxy)ethyl][4-[2-[2-(methylsulfonyl)-4-nitrophenyl]diazenyl]phenyl]amino]-: INACTIVE
관련 반응
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