[2-(dodecanoyloxy)ethyl]trimethylazanium bromide

• ChemBase编号: 110548
• 分子式: C17H36BrNO2
• 平均质量: 366.37724
• 单一同位素质量: 365.1929414
• SMILES: [Br-].CCCCCCCCCCCC(=O)OCC[N+](C)(C)C
• Canonical SMILES: CCCCCCCCCCCC(=O)OCC[N+](C)(C)C.[Br-]
• InChI: InChI=1S/C17H36NO2.BrH/c1-5-6-7-8-9-10-11-12-13-14-17(19)20-16-15-18(2,3)4;/h5-16H2,1-4H3;1H/q+1;/p-1
• InChIKey: NPOCLPODHFCIJQ-UHFFFAOYSA-M

名称和登记号

名称

• IUPAC标准名: [2-(dodecanoyloxy)ethyl]trimethylazanium bromide
• IUPAC传统名: [2-(dodecanoyloxy)ethyl]trimethylazanium bromide
• 别名: LAUROYLCHOLINE CHLORIDE

登记号

• CAS号: 25234-60-0
• PubChem SID: 162095887
• PubChem CID: 24884401

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 0.4805101
• LogD (pH = 7.4): 0.4805101
• Log P: 0.4805101
• 摩尔折射率: 97.3814 cm^3
• 极化性: 34.27399 Å^3
• 极化表面积: 26.3 Å^2
• 可自由旋转的化学键: 14
• 里宾斯基五规则: true

详细说明

MP Biomedicals - 05215503

MP Biomedicals Rare Chemical collection