기본 정보
- CAS
13470-50-3- 표준 SMILES
CCCCCCCCCCCCCCCCCC(=O)NCC[N+]1(C)CCN=C1CCCCCCCCCCCCCCCCC.COS(=O)(=O)[O-]- InChIKey
IOIXBUJAKFHCBU-UHFFFAOYSA-N- 분자식
- C42H85N3O5S
- 평균 분자량
- 744.2 g/mol
- 단동위원소 질량
- 743.62099399
이름 및 식별자
- 우선 이름
- 2-Heptadecyl-1-methyl-1-(2-stearamidoethyl)-2-imidazolinium methyl sulfate
- IUPAC
- N-[2-(2-heptadecyl-1-methyl-4,5-dihydroimidazol-1-ium-1-yl)ethyl]octadecanamide;methyl sulfate
이름 및 동의어
Culversoft S 75Culsoft S 7513470-50-33GUS7X7SY62-Heptadecyl-1-methyl-1-(2-stearamidoethyl)-2-imidazolinium methyl sulfate2-Imidazolinium, 2-heptadecyl-1-methyl-1-(2-stearamidoethyl)-, methyl sulfate2-Heptadecyl-1-methyl-1-(stearylaminoethyl)-2-imidazolinium methosulfateCaswell No. 4751H-Imidazolium, 2-heptadecyl-4,5-dihydro-1-methyl-1-(2-((1-oxooctadecyl)amino)ethyl)-, methyl sulfateEINECS 236-738-7UNII-3GUS7X7SY6EPA Pesticide Chemical Code 046619
이름 더 보기
2-Heptadecyl-1-methyl-1-(octadecanamidoethyl)imidazolinium methosulfate2-Heptadecyl-1-methyl-1-(2-(stearoylamido)ethyl)-2-imidazolinium methyl sulfate1H-Imidazolium, 4,5-dihydro-2-heptadecyl-1-methyl-1-(2-((1-oxooctadecyl)amino)ethyl)-, methyl sulfateSCHEMBL5697405DTXSID708949332-Heptadecyl-4,5-dihydro-1-methyl-1-(2-((1-oxooctadecyl)amino)ethyl)-1-H-imidazolium methyl sulphateNS00120163Q27257190
데이터베이스 식별자
- CAS
13470-50-3、93922-67-9- PubChem CID
- 61624
- DTXSID
물성
구조 계산 물성
- 극성 표면적
- 116 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 35
- 무거운 원자 수
- 51
- 형식 전하
- 0
- 복잡도
- 768
관련 반응
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