기본 정보
- CAS
61799-13-1- 표준 SMILES
Cc1c(C#N)c(NCCO)nc(NCCCOCCOc2ccccc2)c1N=Nc1ccc([N+](=O)[O-])cc1C#N- InChIKey
DVEIMOJTBVDUFY-UHFFFAOYSA-N- 분자식
- C27H28N8O5
- 평균 분자량
- 544.6 g/mol
- 단동위원소 질량
- 544.21826602
이름 및 식별자
- 우선 이름
- 3-Pyridinecarbonitrile, 5-[(2-cyano-4-nitrophenyl)azo]-2-[(2-hydroxyethyl)amino]-4-methyl-6-[[3-(2-phenoxyethoxy)propyl]amino]-
- IUPAC
- 5-[(2-cyano-4-nitrophenyl)diazenyl]-2-(2-hydroxyethylamino)-4-methyl-6-[3-(2-phenoxyethoxy)propylamino]pyridine-3-carbonitrile
- 영어명
- 3-Pyridinecarbonitrile, 5-(2-cyano-4-nitrophenyl)azo-2-(2-hydroxyethyl)amino-4-methyl-6-3-(2-phenoxyethoxy)propylamino-
- 분자식
- C27H28N8O5
- 분자량
- 544.56
이름 및 동의어
3-Pyridinecarbonitrile, 5-[(2-cyano-4-nitrophenyl)azo]-2-[(2-hydroxyethyl)amino]-4-methyl-6-[[3-(2-phenoxyethoxy)propyl]amino]-DTXSID40695033-Pyridinecarbonitrile, 5-((2-cyano-4-nitrophenyl)azo)-2-((2-hydroxyethyl)amino)-4-methyl-6-((3-(2-phenoxyethoxy)propyl)amino)-RefChem:505138DTXCID10431263-Pyridinecarbonitrile, 5-(2-cyano-4-nitrophenyl)azo-2-(2-hydroxyethyl)amino-4-methyl-6-3-(2-phenoxyethoxy)propylamino-61799-13-1SCHEMBL16997056DVEIMOJTBVDUFY-UHFFFAOYSA-N3-Pyridinecarbonitrile, 5-(2-(2-cyano-4-nitrophenyl)diazenyl)-2-((2-hydroxyethyl)amino)-4-methyl-6-((3-(2-phenoxyethoxy)propyl)amino)-3-Pyridinecarbonitrile, 5-((2-cyano-4-nitrophenyl)qazo)-2-((2-hydroxyethyl)amino)-4-methyl-6-((3-(2-phenoxyethoxy)propyl)amino)-5-[(2-Cyano-4-nitrophenyl)diazenyl]-2-[(2-hydroxyethyl)amino]-4-methyl-6-{[3-(2-phenoxyethoxy)propyl]amino}pyridine-3-carbonitrile
이름 더 보기
3-pyridinecarbonitrile, 5-[(2-cyano-4-nitrophenyl)azo]-2-[(2-hydroxyethyl)amino
물성
구조 계산 물성
- XLogP
- 4.6
- 극성 표면적
- 194 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 12
- 회전 가능 결합 수
- 14
- 무거운 원자 수
- 40
- 형식 전하
- 0
- 복잡도
- 892
물리화학적 성질
- 끓는 점
- 838.6 · 838.6±65.0 °C(Predicted)
- 밀도
- 1.31 · 1.31±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 14.39 · 14.39±0.10(Predicted)
- EPA
- 3 · 3-Pyridinecarbonitrile, 5-[(2-cyano-4-nitrophenyl)azo]-2-[(2-hydroxyethyl)amino]-4-methyl-6-[[3-(2-phenoxyethoxy)propyl]amino]- (61799-13-1)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
유해성 정보
Regulatory Information
Chemical: 3-Pyridinecarbonitrile, 5-[(2-cyano-4-nitrophenyl)azo]-2-[(2-hydroxyethyl)amino]-4-methyl-6-[[3-(2-phenoxyethoxy)propyl]amino]-
Hazard Traits - Bioaccumulation; Environmental Persistence
3-Pyridinecarbonitrile, 5-(2-cyano-4-nitrophenyl)azo-2-(2-hydroxyethyl)amino-4-methyl-6-3-(2-phenoxyethoxy)propylamino-: 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.
안전 데이터
- tsca
- TSCA listed
- 기존화학 물질
- KE-09096
화학 및 산업
용도 및 제조
General Manufacturing Information3-Pyridinecarbonitrile, 5-[2-(2-cyano-4-nitrophenyl)diazenyl]-2-[(2-hydroxyethyl)amino]-4-methyl-6-[[3-(2-phenoxyethoxy)propyl]amino]-: ACTIVE
공급사1 곳
Portail Substances Chimiques[email protected]
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