methyl(1-phenylpropyl)amine hydrochloride

• ChemBase编号: 310330
• 分子式: C10H16ClN
• 平均质量: 185.69374
• 单一同位素质量: 185.0971272
• SMILES: c1(C(NC)CC)ccccc1.Cl
• Canonical SMILES: CCC(c1ccccc1)NC.Cl
• InChI: InChI=1S/C10H15N.ClH/c1-3-10(11-2)9-7-5-4-6-8-9;/h4-8,10-11H,3H2,1-2H3;1H
• InChIKey: HUNCXRPUXAZUEN-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: methyl(1-phenylpropyl)amine hydrochloride
• IUPAC传统名: methyl(1-phenylpropyl)amine hydrochloride
• 别名: N-methyl-1-phenyl-1-propanamine hydrochloride

理论计算性质

• 质子受体: 1
• 质子供体: 1
• LogD (pH = 5.5): -0.74360967
• LogD (pH = 7.4): 0.022447012
• Log P: 2.4706922
• 摩尔折射率: 48.2488 cm^3
• 极化性: 19.290476 Å^3
• 极化表面积: 12.03 Å^2