(2-bromoethyl)tributylazanium bromide

• ChemBase编号: 178920
• 分子式: C14H31Br2N
• 平均质量: 373.21064
• 单一同位素质量: 371.082324
• SMILES: C([N+](CCCC)(CCBr)CCCC)CCC.[Br-]
• Canonical SMILES: CCCC[N+](CCCC)(CCCC)CCBr.[Br-]
• InChI: InChI=1S/C14H31BrN.BrH/c1-4-7-11-16(14-10-15,12-8-5-2)13-9-6-3;/h4-14H2,1-3H3;1H/q+1;/p-1
• InChIKey: GMICJWXWDFIFLG-UHFFFAOYSA-M

名称和登记号

名称

• IUPAC标准名: (2-bromoethyl)tributylazanium bromide
• IUPAC传统名: (2-bromoethyl)tributylazanium bromide
• 别名: N-(2-Bromoethyl)-N,N-dibutyl-1-butanaminium Bromide; 2-(Tributylammonium)ethyl Bromide

登记号

• PubChem SID: 164234830
• PubChem CID: 71752691

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 0.849515
• LogD (pH = 7.4): 0.849515
• Log P: 0.849515
• 摩尔折射率: 89.8493 cm^3
• 极化性: 30.553785 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 11
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: Acetone; Chloroform; Dichloromethane; DMF; Methanol
• 外观: Light Yellow Oil