기본 정보
- CAS
67874-10-6- 표준 SMILES
CCCCCCCCCCCCCCCCCCCC(=O)N(CCC#N)CC[N+]1(C)CCN=C1CCCCCCCCCCCCCCCCCCC.COS(=O)(=O)[O-]- InChIKey
HROQWPUNOJRCJI-UHFFFAOYSA-M- 분자식
- C49H96N4O5S
- 평균 분자량
- 853.4 g/mol
- 단동위원소 질량
- 852.71014335
이름 및 식별자
- 우선 이름
- 1H-Imidazolium, 1-(2-((2-cyanoethyl)(1-oxoeicosyl)amino)ethyl)-4,5-dihydro-1-methyl-2-nonadecyl-, methyl sulfate (1:1)
- IUPAC
- N-(2-cyanoethyl)-N-[2-(1-methyl-2-nonadecyl-4,5-dihydroimidazol-1-ium-1-yl)ethyl]icosanamide;methyl sulfate
- 영어명
- 1-[2-[(2-cyanoethyl)(1-oxoicosyl)amino]ethyl]-4,5-dihydro-1-methyl-2-nonadecyl-1H-imidazolium methyl sulphate
- 분자식
- C49H97N4O5S
- 분자량
- 854.38328
이름 및 동의어
EINECS 267-453-667874-10-61H-Imidazolium, 1-(2-((2-cyanoethyl)(1-oxoeicosyl)amino)ethyl)-4,5-dihydro-1-methyl-2-nonadecyl-, methyl sulfate1H-Imidazolium, 1-(2-((2-cyanoethyl)(1-oxoeicosyl)amino)ethyl)-4,5-dihydro-1-methyl-2-nonadecyl-, methyl sulfate (1:1)1H-Imidazolium, 1-[2-[(2-cyanoethyl)(1-oxoeicosyl)amino]ethyl]-4,5-dihydro-1-methyl-2-nonadecyl-, methyl sulfate1H-Imidazolium, 1-[2-[(2-cyanoethyl)(1-oxoeicosyl)amino]ethyl]-4,5-dihydro-1-methyl-2-nonadecyl-, methyl sulfate (1:1)RefChem:798061-{2-[(2-cyanoethyl)(icosanoyl)amino]ethyl}-1-methyl-2-nonadecyl-4,5-dihydro-1h-imidazol-1-ium methyl sulfateDTXSID20987223HROQWPUNOJRCJI-UHFFFAOYSA-MNS000543761-(2-((2-Cyanoethyl)(1-oxoicosyl)amino)ethyl)-4,5-dihydro-1-methyl-2-nonadecyl-1H-imidazolium methyl sulphate
이름 더 보기
1-[2-[(2-cyanoethyl)(1-oxoicosyl)amino]ethyl]-4,5-dihydro-1-methyl-2-nonadecyl-1H-imidazolium methyl sulphate
1-{2-[N-(2-Cyanoethyl)icosanamido]ethyl}-1-methyl-2-nonadecyl-4,5-dihydro-1H-imidazol-1-ium methyl sulfate
물성
구조 계산 물성
- 극성 표면적
- 131 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 41
- 무거운 원자 수
- 59
- 형식 전하
- 0
- 복잡도
- 984
물리화학적 성질
- EPA
- 1 H-Imidazolium, · 1H-Imidazolium, 1-[2-[(2-cyanoethyl)(1-oxoeicosyl)amino]ethyl]-4,5-dihydro-1-methyl-2-nonadecyl-, methyl sulfate (67874-10-6)
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-oxoeicosyl)amino]ethyl]-4,5-dihydro-1-methyl-2-nonadecyl-, methyl sulfate (1:1): INACTIVE
관련 반응
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