기본 정보
- CAS
51026-47-2- 표준 SMILES
CC(=O)OCCN(CCC#N)c1ccc(N=Nc2ccc([N+](=O)[O-])cc2O)c(C)c1- InChIKey
NJPMMKHZWZEGKI-UHFFFAOYSA-N- 분자식
- C20H21N5O5
- 평균 분자량
- 411.4 g/mol
- 단동위원소 질량
- 411.15426877
이름 및 식별자
- 우선 이름
- Propanenitrile, 3-[[2-(acetyloxy)ethyl][4-[2-(2-hydroxy-4-nitrophenyl)diazenyl]-3-methylphenyl]amino]-
- IUPAC
- 2-[N-(2-cyanoethyl)-4-[(2-hydroxy-4-nitrophenyl)diazenyl]-3-methylanilino]ethyl acetate
- 영어명
- 2-[(2-cyanoethyl)[4-[(2-hydroxy-4-nitrophenyl)azo]-m-tolyl]amino]ethyl acetate
- 분자식
- C20H21N5O5
- 분자량
- 411.41
이름 및 동의어
EINECS 256-922-0Propanenitrile, 3-[[2-(acetyloxy)ethyl][4-[(2-hydroxy-4-nitrophenyl)azo]-3-methylphenyl]amino]-N-Cyanoethyl-N-acetoxyethyl-4-((2-hydroxyl-4-nitrophenyl)azo)-m-toluidinePropanenitrile, 3-((2-(acetyloxy)ethyl)(4-((2-hydroxy-4-nitrophenyl)azo)-3-methylphenyl)amino)-Propanenitrile, 3-((2-(acetyloxy)ethyl)(4-(2-(2-hydroxy-4-nitrophenyl)diazenyl)-3-methylphenyl)amino)-Propanenitrile, 3-[[2-(acetyloxy)ethyl][4-[2-(2-hydroxy-4-nitrophenyl)diazenyl]-3-methylphenyl]amino]-RefChem:86902151026-47-238RY2CJW92DTXSID9068611NJPMMKHZWZEGKI-UHFFFAOYSA-N2-((2-Cyanoethyl)(4-((2-hydroxy-4-nitrophenyl)azo)-m-tolyl)amino)ethyl acetate
이름 더 보기
N-Cyanoethyl-N-acetoxyethyl-4-[(2-hydroxyl-4-nitrophenyl)azo]-m-toluidine2-[(2-cyanoethyl)[4-[(2-hydroxy-4-nitrophenyl)azo]-m-tolyl]amino]ethyl acetate3-[(2-Acetoxyethyl)[4-[(2-hydroxy-4-nitrophenyl)azo]-3-methylphenyl]amino]propanenitrile3-[[2-(acetyloxy)ethyl][4-[(2-hydroxy-4-nitrophenyl)azo]-3-methylphenyl] amino]-Propanenitrile
물성
구조 계산 물성
- XLogP
- 3.2
- 극성 표면적
- 144 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 30
- 형식 전하
- 0
- 복잡도
- 658
물리화학적 성질
- EPA
- 3 · Propanenitrile, 3-[[2-(acetyloxy)ethyl][4-[(2-hydroxy-4-nitrophenyl)azo]-3-methylphenyl]amino]- (51026-47-2)
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-[[2-(acetyloxy)ethyl][4-[2-(2-hydroxy-4-nitrophenyl)diazenyl]-3-methylphenyl]amino]-: INACTIVE
관련 반응
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