[2-(dimethylamino)-1-phenylethyl](methyl)amine dihydrochloride

• ChemBase编号: 76196
• 分子式: C11H20Cl2N2
• 平均质量: 251.1959
• 单一同位素质量: 250.10035401
• SMILES: N(CC(c1ccccc1)NC)(C)C.Cl.Cl
• Canonical SMILES: CNC(c1ccccc1)CN(C)C.Cl.Cl
• InChI: InChI=1S/C11H18N2.2ClH/c1-12-11(9-13(2)3)10-7-5-4-6-8-10;;/h4-8,11-12H,9H2,1-3H3;2*1H
• InChIKey: VIDOQUPWQUUABD-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: [2-(dimethylamino)-1-phenylethyl](methyl)amine dihydrochloride
• IUPAC传统名: [2-(dimethylamino)-1-phenylethyl](methyl)amine dihydrochloride
• 别名: [2-(methylamino)-2-phenylethyl]dimethylamine dihydrochloride

登记号

• MDL号: MFCD03840187
• PubChem SID: 162041104
• PubChem CID: 17998876

理论计算性质

• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): -2.3084447
• LogD (pH = 7.4): -0.39303514
• Log P: 1.6100062
• 摩尔折射率: 56.9953 cm^3
• 极化性: 22.650187 Å^3
• 极化表面积: 15.27 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true