기본 정보
- CAS
61038-97-9- 표준 SMILES
COC(=O)CCN(CCC(=O)OC)c1ccc(N=Nc2ccc(C(=O)OC)cc2)c(NC(C)=O)c1- InChIKey
HMRLZWZWXRVZDE-UHFFFAOYSA-N- 분자식
- C24H28N4O7
- 평균 분자량
- 484.5 g/mol
- 단동위원소 질량
- 484.19579924
이름 및 식별자
- 우선 이름
- Benzoic acid, 4-[2-[2-(acetylamino)-4-[bis(3-methoxy-3-oxopropyl)amino]phenyl]diazenyl]-, methyl ester
- IUPAC
- methyl 4-[[2-acetamido-4-[bis(3-methoxy-3-oxopropyl)amino]phenyl]diazenyl]benzoate
- 영어명
- methyl 4-[[2-(acetylamino)-4-[bis(3-methoxy-3-oxopropyl)amino]phenyl]azo]benzoate
- 분자식
- C24H28N4O7
- 분자량
- 484.5
이름 및 동의어
Benzoic acid, 4-[[2-(acetylamino)-4-[bis(3-methoxy-3-oxopropyl)amino]phenyl]azo]-, methyl esterEINECS 262-566-7DTXSID7069443Benzoic acid, 4-((2-(acetylamino)-4-(bis(3-methoxy-3-oxopropyl)amino)phenyl)azo)-, methyl ester4-((2-(Acetylamino)-4-(bis(2-carboxyethyl)amino)phenyl)azo)benzoic acid, trimethyl esterBenzoic acid, 4-(2-(2-(acetylamino)-4-(bis(3-methoxy-3-oxopropyl)amino)phenyl)diazenyl)-, methyl esterBenzoic acid, 4-[2-[2-(acetylamino)-4-[bis(3-methoxy-3-oxopropyl)amino]phenyl]diazenyl]-, methyl esterRefChem:565880DTXCID104294461038-97-9X39KT4Q2K2HMRLZWZWXRVZDE-UHFFFAOYSA-N
이름 더 보기
methyl 4-[[2-(acetylamino)-4-[bis(3-methoxy-3-oxopropyl)amino]phenyl]azo]benzoate4-[[2-(Acetylamino)-4-[bis(2-carboxyethyl) amino]phenyl]azo]benzoic acid, trimethyl ester3,3'-[[3-Acetylamino-4-(4-methoxycarbonylphenylazo)phenyl]imino]dipropionic acid dimethyl ester
DB-326606NS00034536Methyl 4-((2-(acetylamino)-4-(bis(3-methoxy-3-oxopropyl)amino)phenyl)azo)benzoateMethyl 4-({2-acetamido-4-[bis(3-methoxy-3-oxopropyl)amino]phenyl}diazenyl)benzoateMETHYL 4-[[2-(ACETYLAMINO)-4-[BIS(3-METHOXY-3-OXOPROPYL)AMINO]PHENYL ]AZO]BENZOATEMethyl 4-[2-[2-(acetylamino)-4-[bis(3-methoxy-3-oxopropyl)amino]phenyl]diazenyl]benzoate
물성
구조 계산 물성
- XLogP
- 2.5
- 극성 표면적
- 136 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 10
- 회전 가능 결합 수
- 14
- 무거운 원자 수
- 35
- 형식 전하
- 0
- 복잡도
- 732
물리화학적 성질
- EPA
- 4 · Benzoic acid, 4-[[2-(acetylamino)-4-[bis(3-methoxy-3-oxopropyl)amino]phenyl]azo]-, methyl ester (61038-97-9)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
유해성 정보
Regulatory InformationChemical: Benzoic acid, 4-[[2-(acetylamino)-4-[bis(3-methoxy-3-oxopropyl)amino]phenyl]azo]-, methyl ester
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
안전 데이터
- tsca
- TSCA listed
- 기존화학 물질
- KE-00088
화학 및 산업
용도 및 제조
General Manufacturing InformationBenzoic acid, 4-[2-[2-(acetylamino)-4-[bis(3-methoxy-3-oxopropyl)amino]phenyl]diazenyl]-, methyl ester: INACTIVE
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