기본 정보
- CAS
73309-52-1- 표준 SMILES
CC(C)C(=O)OCCN(CCC#N)c1ccc(N=Nc2ccc([N+](=O)[O-])cc2C#N)cc1- InChIKey
GNYGWUKVNULGTI-UHFFFAOYSA-N- 분자식
- C22H22N6O4
- 평균 분자량
- 434.4 g/mol
- 단동위원소 질량
- 434.1702532
이름 및 식별자
- 우선 이름
- Propanoic acid, 2-methyl-, 2-[(2-cyanoethyl)[4-[2-(2-cyano-4-nitrophenyl)diazenyl]phenyl]amino]ethyl ester
- IUPAC
- 2-[N-(2-cyanoethyl)-4-[(2-cyano-4-nitrophenyl)diazenyl]anilino]ethyl 2-methylpropanoate
- 영어명
- 2-[(2-cyanoethyl)[4-[(2-cyano-4-nitrophenyl)azo]phenyl]amino]ethyl isobutyrate
- 분자식
- C22H22N6O4
- 분자량
- 434.45
이름 및 동의어
EINECS 277-379-6Propanoic acid, 2-methyl-, 2-[(2-cyanoethyl)[4-[(2-cyano-4-nitrophenyl)azo]phenyl]amino]ethyl esterDTXSID3072743Propanoic acid, 2-methyl-, 2-((2-cyanoethyl)(4-((2-cyano-4-nitrophenyl)azo)phenyl)amino)ethyl esterPropanoic acid, 2-methyl-, 2-((2-cyanoethyl)(4-(2-(2-cyano-4-nitrophenyl)diazenyl)phenyl)amino)ethyl ester2-((2-Cyanoethyl)(4-((2-cyano-4-nitrophenyl)azo)phenyl)amino)ethylisobutyratePropanoic acid, 2-methyl-, 2-[(2-cyanoethyl)[4-[2-(2-cyano-4-nitrophenyl)diazenyl]phenyl]amino]ethyl esterRefChem:869295DTXCID104752073309-52-1GNYGWUKVNULGTI-UHFFFAOYSA-NNS00037499
이름 더 보기
2-[(2-cyanoethyl)[4-[(2-cyano-4-nitrophenyl)azo]phenyl]amino]ethyl isobutyrate2-Methylpropanoic acid 2-[(2-cyanoethyl)[4-[(2-cyano-4-nitrophenyl)azo]phenyl]amino]ethyl ester
2-[(2-Cyanoethyl){4-[(2-cyano-4-nitrophenyl)diazenyl]phenyl}amino]ethyl 2-methylpropanoate
데이터베이스 식별자
- CAS
73309-52-1- PubChem CID
- 175459
- DTXSID
DTXSID3072743- EC Number
- 277-379-6
- Nikkaji
- J309.276C
물성
구조 계산 물성
- XLogP
- 4
- 극성 표면적
- 148 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 10
- 무거운 원자 수
- 32
- 형식 전하
- 0
- 복잡도
- 753
물리화학적 성질
- EPA
- 2 · Propanoic acid, 2-methyl-, 2-[(2-cyanoethyl)[4-[(2-cyano-4-nitrophenyl)azo]phenyl]amino]ethyl ester (73309-52-1)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
유해성 정보
Regulatory InformationChemical: Propanoic acid, 2-methyl-, 2-[(2-cyanoethyl)[4-[(2-cyano-4-nitrophenyl)azo]phenyl]amino]ethyl ester
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 InformationPropanoic acid, 2-methyl-, 2-[(2-cyanoethyl)[4-[2-(2-cyano-4-nitrophenyl)diazenyl]phenyl]amino]ethyl ester: INACTIVE
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