기본 정보
- CAS
72968-78-6- 표준 SMILES
COC(=O)OCCN(CCOC(=O)OC)c1ccc(N=Nc2ccc([N+](=O)[O-])cc2C#N)c(C)c1- InChIKey
DKEKZBAMMFOUGD-UHFFFAOYSA-N- 분자식
- C22H23N5O8
- 평균 분자량
- 485.4 g/mol
- 단동위원소 질량
- 485.15466271
개요
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이름 및 식별자
- 우선 이름
- 2,8,10-Trioxa-5-azaundecanoic acid, 5-[4-[2-(2-cyano-4-nitrophenyl)diazenyl]-3-methylphenyl]-9-oxo-, methyl ester
- IUPAC
- 2-[4-[(2-cyano-4-nitrophenyl)diazenyl]-N-(2-methoxycarbonyloxyethyl)-3-methylanilino]ethyl methyl carbonate
이름 및 동의어
EINECS 277-153-7N,N-Bis(2-((methoxycarbonyl)oxy)ethyl)-3-methyl-4-((2-cyano-4-nitrophenyl)azo)benzeneamineBenzenamine, N,N-bis(2-((methoxycarbonyl)oxy)ethyl)-4-((4-nitro-2-cyanophenyl)azo)-3-methyl-Methyl 7-(4-((2-cyano-4-nitrophenyl)azo)-3-oxo-m-tolyl)-2,4,10-trioxa-7-azaundecan-11-oate2,4,10-Trioxa-7-azaundecan-11-oic acid, 7-(4-((2-cyano-4-nitrophenyl)azo)-3-methylphenyl)-3-oxo-, methyl ester2,4,10-Trioxa-7-azaundecan-11-oic acid, 7-[4-[(2-cyano-4-nitrophenyl)azo]-3-methylphenyl]-3-oxo-, methyl ester2,8,10-Trioxa-5-azaundecanoic acid, 5-(4-(2-(2-cyano-4-nitrophenyl)diazenyl)-3-methylphenyl)-9-oxo-, methyl ester2,8,10-Trioxa-5-azaundecanoic acid, 5-[4-[2-(2-cyano-4-nitrophenyl)diazenyl]-3-methylphenyl]-9-oxo-, methyl esterRefChem:44646672968-78-6SCHEMBL9587722SCHEMBL9587724
이름 더 보기
DTXSID1072688DKEKZBAMMFOUGD-UHFFFAOYSA-NNS00037450({4-[(2-Cyano-4-nitrophenyl)diazenyl]-3-methylphenyl}azanediyl)di(ethane-2,1-diyl) dimethyl biscarbonate
물성
구조 계산 물성
- XLogP
- 4.3
- 극성 표면적
- 169 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 12
- 회전 가능 결합 수
- 13
- 무거운 원자 수
- 35
- 형식 전하
- 0
- 복잡도
- 772
화학 및 산업
용도 및 제조
General Manufacturing Information2,8,10-Trioxa-5-azaundecanoic acid, 5-[4-[2-(2-cyano-4-nitrophenyl)diazenyl]-3-methylphenyl]-9-oxo-, methyl ester: INACTIVE
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