triethyl(icosyl)azanium bromide

• ChemBase编号: 167960
• 分子式: C26H56BrN
• 平均质量: 462.63354
• 单一同位素质量: 461.3596128
• SMILES: CCCCCCCCCCCCCCCCCCCC[N+](CC)(CC)CC.[Br-]
• Canonical SMILES: CCCCCCCCCCCCCCCCCCCC[N+](CC)(CC)CC.[Br-]
• InChI: InChI=1S/C26H56N.BrH/c1-5-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27(6-2,7-3)8-4;/h5-26H2,1-4H3;1H/q+1;/p-1
• InChIKey: SMHLVTWLIORUSV-UHFFFAOYSA-M

名称和登记号

名称

• IUPAC标准名: triethyl(icosyl)azanium bromide
• IUPAC传统名: triethyl(icosyl)azanium bromide
• 别名: N,N,N-Triethyl-1-eicosanaminium Bromide; n-Eicosyltriethylammonium Bromide; Eicosyltriethylammonium Bromide

登记号

• CAS号: 75222-49-0
• PubChem SID: 162262093
• PubChem CID: 53408160

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 5.5352545
• LogD (pH = 7.4): 5.5352545
• Log P: 5.5352545
• 摩尔折射率: 137.6371 cm^3
• 极化性: 50.20448 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 22
• 里宾斯基五规则: false