1-Propanaminium, 2-hydroxy-N-(2-((2-hydroxyethyl)(2-hydroxypropyl)amino)ethyl)-N-(2-hydroxypropyl)-N-methyl-, dioctadecanoate (ester), methyl sulfate (1:1)
基本情報
- CAS
65059-55-4- 標準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- 分子式
- C51H104N2O10S
- 平均分子量
- 937.4 g/mol
- 単同位体質量
- 936.74116869
名称と識別子
- 優先名称
- 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
名称と別名
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)
データベース識別子
- CAS
65059-55-4- PubChem CID
- 105180
- DTXSID
DTXSID00983607- EC Number
- 265-336-4
物性
構造計算による物性
- 極性表面積
- 171 Ų
- 水素結合供与体数
- 2
- 水素結合受容体数
- 11
- 回転可能結合数
- 47
- 重原子数
- 64
- 形式電荷
- 0
- 複雑度
- 938
化学と産業
用途と製造
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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