2-((4-(Ethyl(2-(trimethylammonio)ethyl)amino)phenyl)azo)-6-methoxy-3-methylbenzothiazolium diacetate
기본 정보
- CAS
97861-97-7- 표준 SMILES
CC(=O)[O-].CC(=O)[O-].CCN(CC[N+](C)(C)C)c1ccc(N=Nc2sc3cc(OC)ccc3[n+]2C)cc1- InChIKey
HZPPYPHWOHLKHT-UHFFFAOYSA-L- 분자식
- C26H37N5O5S
- 평균 분자량
- 531.7 g/mol
- 단동위원소 질량
- 531.25154047
이름 및 식별자
- 우선 이름
- 2-((4-(Ethyl(2-(trimethylammonio)ethyl)amino)phenyl)azo)-6-methoxy-3-methylbenzothiazolium diacetate
- IUPAC
- 2-[N-ethyl-4-[(6-methoxy-3-methyl-1,3-benzothiazol-3-ium-2-yl)diazenyl]anilino]ethyl-trimethylazanium diacetate
- 영어명
- 2-[[4-[ethyl[2-(trimethylammonio)ethyl]amino]phenyl]azo]-6-methoxy-3-methylbenzothiazolium diacetate
- 분자식
- C26H37N5O5S
- 분자량
- 531.66748
이름 및 동의어
97861-97-7EINECS 308-038-22-((4-(Ethyl(2-(trimethylammonio)ethyl)amino)phenyl)azo)-6-methoxy-3-methylbenzothiazolium diacetateDTXSID202432952-[[4-[ethyl[2-(trimethylammonio)ethyl]amino]phenyl]azo]-6-methoxy-3-methylbenzothiazolium diacetateRefChem:83712DTXCID20165786308-038-2HZPPYPHWOHLKHT-UHFFFAOYSA-LNS000655152-[(E)-(4-{Ethyl[2-(trimethylazaniumyl)ethyl]amino}phenyl)diazenyl]-6-methoxy-3-methyl-1,3-benzothiazol-3-ium diacetate2-[N-ethyl-4-[(6-methoxy-3-methyl-1,3-benzothiazol-3-ium-2-yl)diazenyl]anilino]ethyl-trimethylazanium
데이터베이스 식별자
- CAS
97861-97-7- PubChem CID
- 44151676
- DTXSID
DTXSID20243295- EC Number
- 308-038-2
물성
구조 계산 물성
- 극성 표면적
- 150 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 37
- 형식 전하
- 0
- 복잡도
- 557
관련 반응
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