기본 정보
- CAS
67874-20-8- 표준 SMILES
CCCCCCCCCCCCCCCCCC(=O)N(CCC#N)CC[N+]1(CC)CCN=C1CCCCCCCCCCCCCCCCC.CCOS(=O)(=O)[O-]- InChIKey
VJZSHHISGDXXMO-UHFFFAOYSA-M- 분자식
- C47H92N4O5S
- 평균 분자량
- 825.3 g/mol
- 단동위원소 질량
- 824.67884322
이름 및 식별자
- 우선 이름
- 1H-Imidazolium, 1-(2-((2-cyanoethyl)(1-oxooctadecyl)amino)ethyl)-1-ethyl-2-heptadecyl-4,5-dihydro-, ethyl sulfate (1:1)
- IUPAC
- N-(2-cyanoethyl)-N-[2-(1-ethyl-2-heptadecyl-4,5-dihydroimidazol-1-ium-1-yl)ethyl]octadecanamide;ethyl sulfate
- 영어명
- 1-[2-[(2-cyanoethyl)(1-oxooctadecyl)amino]ethyl]-1-ethyl-2-heptadecyl-4,5-dihydro-1H-imidazolium ethyl sulphate
- 분자식
- C47H93N4O5S
- 분자량
- 826.33012
이름 및 동의어
EINECS 267-458-367874-20-81H-Imidazolium, 1-(2-((2-cyanoethyl)(1-oxooctadecyl)amino)ethyl)-1-ethyl-2-heptadecyl-4,5-dihydro-, ethyl sulfate1H-Imidazolium, 1-(2-((2-cyanoethyl)(1-oxooctadecyl)amino)ethyl)-1-ethyl-2-heptadecyl-4,5-dihydro-, ethyl sulfate (1:1)1H-Imidazolium, 1-[2-[(2-cyanoethyl)(1-oxooctadecyl)amino]ethyl]-1-ethyl-2-heptadecyl-4,5-dihydro-, ethyl sulfate1H-Imidazolium, 1-[2-[(2-cyanoethyl)(1-oxooctadecyl)amino]ethyl]-1-ethyl-2-heptadecyl-4,5-dihydro-, ethyl sulfate (1:1)RefChem:79807DTXSID20987228VJZSHHISGDXXMO-UHFFFAOYSA-MNS000557361-(2-((2-Cyanoethyl)(1-oxooctadecyl)amino)ethyl)-1-ethyl-2-heptadecyl-4,5-dihydro-1H-imidazolium ethyl sulphate1-{2-[(2-cyanoethyl)(octadecanoyl)amino]ethyl}-1-ethyl-2-heptadecyl-4,5-dihydro-1H-imidazol-1-ium ethyl sulfate
이름 더 보기
1-[2-[(2-cyanoethyl)(1-oxooctadecyl)amino]ethyl]-1-ethyl-2-heptadecyl-4,5-dihydro-1H-imidazolium ethyl sulphate
1-{2-[N-(2-Cyanoethyl)octadecanamido]ethyl}-1-ethyl-2-heptadecyl-4,5-dihydro-1H-imidazol-1-ium ethyl sulfate
물성
구조 계산 물성
- 극성 표면적
- 131 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 39
- 무거운 원자 수
- 57
- 형식 전하
- 0
- 복잡도
- 951
물리화학적 성질
- EPA
- 1 H-Imidazolium, · 1H-Imidazolium, 1-[2-[(2-cyanoethyl)(1-oxooctadecyl)amino]ethyl]-1-ethyl-2-heptadecyl-4,5-dihydro-, ethyl sulfate (67874-20-8)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
안전 데이터
- tsca
- TSCA listed
화학 및 산업
용도 및 제조
General Manufacturing Information1H-Imidazolium, 1-[2-[(2-cyanoethyl)(1-oxooctadecyl)amino]ethyl]-1-ethyl-2-heptadecyl-4,5-dihydro-, ethyl sulfate (1:1): INACTIVE
관련 반응
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