기본 정보
- CAS
77737-04-3- 표준 SMILES
Cc1c(C#N)c(N)nc(NCCCOCCCCO)c1N=Nc1ccc([N+](=O)[O-])cc1C#N- InChIKey
HUIWEWMNRIAEOB-UHFFFAOYSA-N- 분자식
- C21H24N8O4
- 평균 분자량
- 452.5 g/mol
- 단동위원소 질량
- 452.19205128
이름 및 식별자
- 우선 이름
- 2-Amino-5-(2-(2-cyano-4-nitrophenyl)diazenyl)-6-((3-(4-hydroxybutoxy)propyl)amino)-4-methyl-3-pyridinecarbonitrile
- IUPAC
- 2-amino-5-[(2-cyano-4-nitrophenyl)diazenyl]-6-[3-(4-hydroxybutoxy)propylamino]-4-methylpyridine-3-carbonitrile
- 영어명
- 2-amino-5-[(2-cyano-4-nitrophenyl)azo]-6-[[3-(4-hydroxybutoxy) propyl]amino]-4-methyl-3-Pyridinecarbonitrile
- 분자식
- C21H24N8O4
- 분자량
- 452.47
이름 및 동의어
77737-04-32-Amino-5-(2-(2-cyano-4-nitrophenyl)diazenyl)-6-((3-(4-hydroxybutoxy)propyl)amino)-4-methyl-3-pyridinecarbonitrile2-Amino-5-[2-(2-cyano-4-nitrophenyl)diazenyl]-6-[[3-(4-hydroxybutoxy)propyl]amino]-4-methyl-3-pyridinecarbonitrileRefChem:2556353-Pyridinecarbonitrile, 2-amino-5-[(2-cyano-4-nitrophenyl)azo]-6-[[3-(4-hydroxybutoxy)propyl]amino]-4-methyl-3-Pyridinecarbonitrile, 2-amino-5-((2-cyano-4-nitrophenyl)azo)-6-((3-(4-hydroxybutoxy)propyl)amino)-4-methyl-3-Pyridinecarbonitrile, 2-amino-5-(2-(2-cyano-4-nitrophenyl)diazenyl)-6-((3-(4-hydroxybutoxy)propyl)amino)-4-methyl-DTXSID0072851HUIWEWMNRIAEOB-UHFFFAOYSA-N2-Amino-5-[(2-cyano-4-nitrophenyl)diazenyl]-6-{[3-(4-hydroxybutoxy)propyl]amino}-4-methylpyridine-3-carbonitrile2-amino-5-[(2-cyano-4-nitrophenyl)azo]-6-[[3-(4-hydroxybutoxy) propyl]amino]-4-methyl-3-Pyridinecarbonitrile3-Pyridinecarbonitrile, 2-amino-5-[(2-cyano-4-nitrophenyl) azo]-6-[[3-(4-hydroxybutoxy)propyl]amino ]-4-methyl-
데이터베이스 식별자
물성
구조 계산 물성
- XLogP
- 3
- 극성 표면적
- 199 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 11
- 회전 가능 결합 수
- 11
- 무거운 원자 수
- 33
- 형식 전하
- 0
- 복잡도
- 742
물리화학적 성질
- 끓는 점
- 767.021 · 767.021±60.00 °C(Press: 760.00 Torr)(predicted)
- 밀도
- 1.368 · 1.368±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- 산도 계수 (pKa)
- 15.072 · 15.072±0.10(predicted)
- EPA
- 3 · 3-Pyridinecarbonitrile, 2-amino-5-[(2-cyano-4-nitrophenyl)azo]-6-[[3-(4-hydroxybutoxy)propyl]amino]-4-methyl- (77737-04-3)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
유해성 정보
Regulatory InformationChemical: 3-Pyridinecarbonitrile, 2-amino-5-[(2-cyano-4-nitrophenyl)azo]-6-[[3-(4-hydroxybutoxy)propyl]amino]4-methyl-
안전 데이터
- tsca
- TSCA listed
화학 및 산업
용도 및 제조
General Manufacturing Information3-Pyridinecarbonitrile, 2-amino-5-[2-(2-cyano-4-nitrophenyl)diazenyl]-6-[[3-(4-hydroxybutoxy)propyl]amino]-4-methyl-: ACTIVE
관련 반응
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