(2,2-diethylcyclopropyl)methanamine hydrochloride

• ChemBase编号: 310215
• 分子式: C8H18ClN
• 平均质量: 163.68822
• 单一同位素质量: 163.11277726
• SMILES: C1(CC1CN)(CC)CC.Cl
• Canonical SMILES: NCC1CC1(CC)CC.Cl
• InChI: InChI=1S/C8H17N.ClH/c1-3-8(4-2)5-7(8)6-9;/h7H,3-6,9H2,1-2H3;1H
• InChIKey: ROUJNALKQUWBIL-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: (2,2-diethylcyclopropyl)methanamine hydrochloride
• IUPAC传统名: (2,2-diethylcyclopropyl)methanamine hydrochloride
• 别名: [(2,2-diethylcyclopropyl)methyl]amine hydrochloride

理论计算性质

• 质子受体: 1
• 质子供体: 1
• LogD (pH = 5.5): -1.3926173
• LogD (pH = 7.4): -0.97141963
• Log P: 1.6313219
• 摩尔折射率: 40.0865 cm^3
• 极化性: 16.292534 Å^3
• 极化表面积: 26.02 Å^2