1H-Benzimidazolium, 6-chloro-1-ethyl-2-methyl-3-(3-(triethylammonio)propyl)-, ethyl sulfate (1:2)
기본 정보
- CAS
68123-35-3- 표준 SMILES
CCOS(=O)(=O)[O-].CCOS(=O)(=O)[O-].CCn1c(C)[n+](CCC[N+](CC)(CC)CC)c2ccc(Cl)cc21- InChIKey
QGOPIECIVBFRSD-UHFFFAOYSA-L- 분자식
- C23H42ClN3O8S2
- 평균 분자량
- 588.2 g/mol
- 단동위원소 질량
- 587.2101853
이름 및 식별자
- 우선 이름
- 1H-Benzimidazolium, 6-chloro-1-ethyl-2-methyl-3-(3-(triethylammonio)propyl)-, ethyl sulfate (1:2)
- IUPAC
- 3-(5-chloro-3-ethyl-2-methylbenzimidazol-1-ium-1-yl)propyl-triethylazanium;ethyl sulfate
이름 및 동의어
68123-35-3EINECS 268-552-71H-Benzimidazolium, 5-chloro-3-ethyl-2-methyl-1-[3-(triethylammonio)propyl]-, bis(ethyl sulfate)5-Chloro-3-ethyl-2-methyl-1-(gamma-triethylaminopropyl)benzimidazolium, di(ethosulfate)1H-Benzimidazolium, 5-chloro-3-ethyl-2-methyl-1-(3-(triethylammonio)propyl)-, bis(ethyl sulfate)1H-Benzimidazolium, 6-chloro-1-ethyl-2-methyl-3-(3-(triethylammonio)propyl)-, ethyl sulfate (1:2)1H-Benzimidazolium, 6-chloro-1-ethyl-2-methyl-3-[3-(triethylammonio)propyl]-, ethyl sulfate (1:2)RefChem:438145DTXSID0071122QGOPIECIVBFRSD-UHFFFAOYSA-L5-Chloro-3-ethyl-2-methyl-1-(3-(triethylammonio)propyl)-1H-benzimidazolium bis(ethyl) bis(sulphate)5-Chloro-3-ethyl-2-methyl-1-[3-(triethylazaniumyl)propyl]-1H-1,3-benzimidazol-3-ium bis(ethyl sulfate)
데이터베이스 식별자
- CAS
68123-35-3- PubChem CID
- 106651
- DTXSID
DTXSID0071122- EC Number
- 268-552-7
물성
구조 계산 물성
- 극성 표면적
- 158 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 10
- 무거운 원자 수
- 37
- 형식 전하
- 0
- 복잡도
- 454
화학 및 산업
용도 및 제조
General Manufacturing Information1H-Benzimidazolium, 6-chloro-1-ethyl-2-methyl-3-[3-(triethylammonio)propyl]-, ethyl sulfate (1:2): INACTIVE
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