(2-chloro-2-methylpropyl)trimethylazanium iodide

• ChemBase编号: 83545
• 分子式: C7H17ClIN
• 平均质量: 277.57405
• 单一同位素质量: 277.00942523
• SMILES: [N+](CC(Cl)(C)C)(C)(C)C.[I-]
• Canonical SMILES: C[N+](CC(Cl)(C)C)(C)C.[I-]
• InChI: InChI=1S/C7H17ClN.HI/c1-7(2,8)6-9(3,4)5;/h6H2,1-5H3;1H/q+1;/p-1
• InChIKey: XJLLAYGRCWETDG-UHFFFAOYSA-M

名称和登记号

名称

• IUPAC标准名: (2-chloro-2-methylpropyl)trimethylazanium iodide
• IUPAC传统名: (2-chloro-2-methylpropyl)trimethylazanium iodide
• 别名: (2-chloro-2-methylpropyl)(trimethyl)ammonium iodide

登记号

• MDL号: MFCD00102031
• PubChem SID: 162070662
• PubChem CID: 2780485

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): -2.6105256
• LogD (pH = 7.4): -2.6105256
• Log P: -2.6105256
• 摩尔折射率: 54.302 cm^3
• 极化性: 16.904388 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true