2-(ethylamino)-2-methylpropan-1-ol hydrochloride

• ChemBase编号: 310275
• 分子式: C6H16ClNO
• 平均质量: 153.65034
• 单一同位素质量: 153.09204182
• SMILES: C(NCC)(CO)(C)C.Cl
• Canonical SMILES: CCNC(CO)(C)C.Cl
• InChI: InChI=1S/C6H15NO.ClH/c1-4-7-6(2,3)5-8;/h7-8H,4-5H2,1-3H3;1H
• InChIKey: WCVGYVDLVBGINZ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-(ethylamino)-2-methylpropan-1-ol hydrochloride
• IUPAC传统名: 2-(ethylamino)-2-methylpropan-1-ol hydrochloride
• 别名: 2-(ethylamino)-2-methyl-1-propanol hydrochloride

理论计算性质

• 质子受体: 2
• 质子供体: 2
• LogD (pH = 5.5): -3.0510297
• LogD (pH = 7.4): -2.395441
• Log P: 0.17097916
• 摩尔折射率: 34.7913 cm^3
• 极化性: 13.926987 Å^3
• 极化表面积: 32.26 Å^2