(cyclohexylmethyl)(1-phenylethyl)amine

• ChemBase编号: 311658
• 分子式: C15H23N
• 平均质量: 217.34982
• 单一同位素质量: 217.18304974
• SMILES: N(C(c1ccccc1)C)CC1CCCCC1
• Canonical SMILES: CC(c1ccccc1)NCC1CCCCC1
• InChI: InChI=1S/C15H23N/c1-13(15-10-6-3-7-11-15)16-12-14-8-4-2-5-9-14/h3,6-7,10-11,13-14,16H,2,4-5,8-9,12H2,1H3
• InChIKey: UHABCGJJMSQRRP-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: (cyclohexylmethyl)(1-phenylethyl)amine
• IUPAC传统名: (cyclohexylmethyl)(1-phenylethyl)amine
• 别名: (cyclohexylmethyl)(1-phenylethyl)amine

登记号

• CAS号: 356540-15-3
• MDL号: MFCD03211371

理论计算性质

• 质子受体: 1
• 质子供体: 1
• LogD (pH = 5.5): 0.8354868
• LogD (pH = 7.4): 1.3999283
• Log P: 4.062453
• 摩尔折射率: 69.4698 cm^3
• 极化性: 27.778837 Å^3
• 极化表面积: 12.03 Å^2