벤젠아미늄,2-메톡시-5-[[2-[[4-[[4-[[1-[[[4-메톡시-3-(트리메틸암모니오)페닐]아미노]카르보닐]-2-옥소프로필]아조]벤조일]아미노]페닐]azo]-1,3-디옥소부틸]아미노]-N,N,N-트리메틸-,이염화물
Benzenaminium, 2-methoxy-5-((2-((4-((4-((1-(((4-methoxy-3-(trimethylammonio)phenyl)amino)carbonyl)-2-oxopropyl)azo)benzoyl)amino)phenyl)azo)-1,3-dioxobutyl)amino)-N,N,N-trimethyl-, dichloride
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기본 정보
- CAS
90441-31-9- 표준 SMILES
COc1ccc(NC(=O)C(N=Nc2ccc(NC(=O)c3ccc(N=NC(C(C)=O)C(=O)Nc4ccc(OC)c([N+](C)(C)C)c4)cc3)cc2)C(C)=O)cc1[N+](C)(C)C.[Cl-].[Cl-]- InChIKey
QEJVLBPZMJAGEF-UHFFFAOYSA-N- 분자식
- C41H49N9O7.2Cl
- 평균 분자량
- 850.8 g/mol
- 단동위원소 질량
- 849.3132003
이름 및 식별자
- 우선 이름
- Benzenaminium, 2-methoxy-5-((2-((4-((4-((1-(((4-methoxy-3-(trimethylammonio)phenyl)amino)carbonyl)-2-oxopropyl)azo)benzoyl)amino)phenyl)azo)-1,3-dioxobutyl)amino)-N,N,N-trimethyl-, dichloride
- IUPAC
- [2-methoxy-5-[[2-[[4-[[4-[[1-[4-methoxy-3-(trimethylazaniumyl)anilino]-1,3-dioxobutan-2-yl]diazenyl]benzoyl]amino]phenyl]diazenyl]-3-oxobutanoyl]amino]phenyl]-trimethylazanium dichloride
- 현지명
- 벤젠아미늄,2-메톡시-5-[[2-[[4-[[4-[[1-[[[4-메톡시-3-(트리메틸암모니오)페닐]아미노]카르보닐]-2-옥소프로필]아조]벤조일]아미노]페닐]azo]-1,3-디옥소부틸]아미노]-N,N,N-트리메틸-,이염화물
- 영어명
- Benzenaminium, 2-methoxy-5-[[2-[[4-[[4-[ [1-[[[4-methoxy-3-(trimethylammonio)phenyl]amino]carbonyl ]-2-oxopropyl]azo]benzoyl]amino]phenyl]az o]-1,3-dioxobutyl]amino]-N,N,N-trimethyl-, dichloride
- 분자량
- 0
이름 및 동의어
Benzenaminium, 2-methoxy-5-((2-((4-((4-((1-(((4-methoxy-3-(trimethylammonio)phenyl)amino)carbonyl)-2-oxopropyl)azo)benzoyl)amino)phenyl)azo)-1,3-dioxobutyl)amino)-N,N,N-trimethyl-, dichlorideBenzenaminium, 2-methoxy-5-[[2-[[4-[[4-[[1-[[[4-methoxy-3-(trimethylammonio)phenyl]amino]carbonyl]-2-oxopropyl]azo]benzoyl]amino]phenyl]azo]-1,3-dioxobutyl]amino]-N,N,N-trimethyl-, dichlorideRefChem:56201690441-31-9DTXSID109203812-Methoxy-5-(2-(4-(4-(1-((4-methoxy-3-trimethylammonio)anilinocarbonyl)-2-oxopropylazo)benzamido)phenylazo)-3-oxobutyramido)phenylammonium dichloride2-Methoxy-5-[2-({4-[4-({1-[4-methoxy-3-(trimethylazaniumyl)anilino]-1,3-dioxobutan-2-yl}diazenyl)benzamido]phenyl}diazenyl)-3-oxobutanamido]-N,N,N-trimethylanilinium dichloride벤젠아미늄,2-메톡시-5-[[2-[[4-[[4-[[1-[[[4-메톡시-3-(트리메틸암모니오)페닐]아미노]카르보닐]-2-옥소프로필]아조]벤조일]아미노]페닐]azo]-1,3-디옥소부틸]아미노]-N,N,N-트리메틸-,이염화물Benzenaminium, 2-methoxy-5-[[2-[[4-[[4-[ [1-[[[4-methoxy-3-(trimethylammonio)phenyl]amino]carbonyl ]-2-oxopropyl]azo]benzoyl]amino]phenyl]az o]-1,3-dioxobutyl]amino]-N,N,N-trimethyl-, dichloride
물성
구조 계산 물성보충 중
- 극성 표면적
- 189 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 13
- 회전 가능 결합 수
- 16
- 무거운 원자 수
- 59
- 형식 전하
- 0
- 복잡도
- 1,440
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
유해성 정보
Regulatory Information
Chemical: Benzenaminium, 2-methoxy-5-[[2-[[4-[[4-[[1-[[[4-methoxy-3-(trimethylammonio)phenyl]amino]carbonyl]-2-oxopropyl]azo]benzoyl]amino]phenyl]azo]-1,3-dioxobutyl]amino]-N,N,N-trimethyl-, dichloride
REACH registered substance: 2-methoxy-5-(2-(4-(4-(1-((4-methoxy-3-trimethylammonio)anilinocarbonyl)-2-oxopropylazo)benzamido)phenylazo)-3-oxobutyramido)phenylammonium dichloride (EC: 400-450-1)
Other Safety Information
IMAP assessments - Benzenaminium, 2-methoxy-5-[[2-[[4-[[4-[[1-[[[4-methoxy-3-(trimethylammonio)phenyl]amino]carbonyl]-2-oxopropyl]azo]benzoyl]amino]phenyl]azo]-1,3-dioxobutyl]amino]-N,N,N-trimethyl-, dichloride: Human health tier I assessment
관련 반응
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