기본 정보
- CAS
65059-55-4- 표준 SMILES
CCCCCCCCCCCCCCCCCC(=O)OC(C)C[N+](C)(CCN(CCO)CC(C)O)CC(C)OC(=O)CCCCCCCCCCCCCCCCC.COS(=O)(=O)[O-]- InChIKey
OMQZQCNSLQFDPV-UHFFFAOYSA-M- 분자식
- C51H104N2O10S
- 평균 분자량
- 937.4 g/mol
- 단동위원소 질량
- 936.74116869
이름 및 식별자
- 우선 이름
- 1-Propanaminium, 2-hydroxy-N-(2-((2-hydroxyethyl)(2-hydroxypropyl)amino)ethyl)-N-(2-hydroxypropyl)-N-methyl-, dioctadecanoate (ester), methyl sulfate (1:1)
- IUPAC
- 2-[2-hydroxyethyl(2-hydroxypropyl)amino]ethyl-methyl-bis(2-octadecanoyloxypropyl)azanium;methyl sulfate
이름 및 동의어
EINECS 265-336-465059-55-41-Propanaminium, 2-hydroxy-N-(2-((2-hydroxyethyl)(2-hydroxypropyl)amino)ethyl)-N-(2-hydroxypropyl)-N-methyl-, dioctadecanoate (ester), methyl sulfate (salt)1-Propanaminium, 2-hydroxy-N-(2-((2-hydroxyethyl)(2-hydroxypropyl)amino)ethyl)-N-(2-hydroxypropyl)-N-methyl-, dioctadecanoate (ester), methyl sulfate (1:1)1-Propanaminium, 2-hydroxy-N-[2-[(2-hydroxyethyl)(2-hydroxypropyl)amino]ethyl]-N-(2-hydroxypropyl)-N-methyl-, dioctadecanoate (ester), methyl sulfate (salt)1-Propanaminium, 2-hydroxy-N-[2-[(2-hydroxyethyl)(2-hydroxypropyl)amino]ethyl]-N-(2-hydroxypropyl)-N-methyl-, dioctadecanoate (ester), methyl sulfate (1:1)RefChem:435944n-{2-[(2-hydroxyethyl)(2-hydroxypropyl)amino]ethyl}-n-methyl-2-(octadecanoyloxy)-n-[2-(octadecanoyloxy)propyl]propan-1-aminium methyl sulfateDTXSID00983607OMQZQCNSLQFDPV-UHFFFAOYSA-M(2-((2-Hydroxyethyl)(2-hydroxypropyl)amino)ethyl)bis(2-hydroxypropyl)(methyl)ammonium methyl sulphate, distearate (ester)
데이터베이스 식별자
- CAS
65059-55-4- PubChem CID
- 105180
물성
구조 계산 물성
- 극성 표면적
- 171 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 11
- 회전 가능 결합 수
- 47
- 무거운 원자 수
- 64
- 형식 전하
- 0
- 복잡도
- 938
화학 및 산업
용도 및 제조
General Manufacturing Information1-Propanaminium, 2-hydroxy-N-[2-[(2-hydroxyethyl)(2-hydroxypropyl)amino]ethyl]-N-(2-hydroxypropyl)-N-methyl-, dioctadecanoate (ester), methyl sulfate (1:1): INACTIVE
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