기본 정보
- CAS
68109-98-8- 표준 SMILES
CCCCCCCCCCCCCCCCCC(=O)NCC[N+](CC)(CCC#N)CCNCCC#N.CCOS(=O)(=O)[O-]- InChIKey
RYYWFBAJSDFMSG-UHFFFAOYSA-N- 분자식
- C32H63N5O5S
- 평균 분자량
- 629.9 g/mol
- 단동위원소 질량
- 629.4549913
이름 및 식별자
- 우선 이름
- Ethanaminium, 2-cyano-N-[2-[(2-cyanoethyl)amino]ethyl]-N-ethyl-N-[2-[(1-oxooctadecyl)amino]ethyl]-, ethyl sulfate (1:1)
- IUPAC
- 2-cyanoethyl-[2-(2-cyanoethylamino)ethyl]-ethyl-[2-(octadecanoylamino)ethyl]azanium;ethyl sulfate
이름 및 동의어
68109-98-8EINECS 268-506-6DTXSID90887160Ethanaminium, 2-cyano-N-(2-((2-cyanoethyl)amino)ethyl)-N-ethyl-N-(2-((1-oxooctadecyl)amino)ethyl)-, ethyl sulfateEthanaminium, 2-cyano-N-(2-((2-cyanoethyl)amino)ethyl)-N-ethyl-N-(2-((1-oxooctadecyl)amino)ethyl)-, ethyl sulfate (1:1)(2-Cyanoethyl)(2-((2-cyanoethyl)amino)ethyl)ethyl(((1-oxooctadecyl)amino)ethyl)ammonium ethyl sulphateEthanaminium, 2-cyano-N-[2-[(2-cyanoethyl)amino]ethyl]-N-ethyl-N-[2-[(1-oxooctadecyl)amino]ethyl]-, ethyl sulfateEthanaminium, 2-cyano-N-[2-[(2-cyanoethyl)amino]ethyl]-N-ethyl-N-[2-[(1-oxooctadecyl)amino]ethyl]-, ethyl sulfate (1:1)RefChem:138059DTXCID4010264732-Cyano-N-{2-[(2-cyanoethyl)amino]ethyl}-N-ethyl-N-(2-octadecanamidoethyl)ethan-1-aminium ethyl sulfate
데이터베이스 식별자
- CAS
68109-98-8- PubChem CID
- 106605
- DTXSID
DTXSID90887160- EC Number
- 268-506-6
물성
구조 계산 물성
- 극성 표면적
- 164 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 28
- 무거운 원자 수
- 43
- 형식 전하
- 0
- 복잡도
- 709
화학 및 산업
용도 및 제조
General Manufacturing InformationEthanaminium, 2-cyano-N-[2-[(2-cyanoethyl)amino]ethyl]-N-ethyl-N-[2-[(1-oxooctadecyl)amino]ethyl]-, ethyl sulfate (1:1): INACTIVE
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