methyl 2-(cyclohexylamino)-2-phenylacetate

• ChemBase编号: 311834
• 分子式: C15H21NO2
• 平均质量: 247.33274
• 单一同位素质量: 247.15722892
• SMILES: C(C(=O)OC)(NC1CCCCC1)c1ccccc1
• Canonical SMILES: COC(=O)C(c1ccccc1)NC1CCCCC1
• InChI: InChI=1S/C15H21NO2/c1-18-15(17)14(12-8-4-2-5-9-12)16-13-10-6-3-7-11-13/h2,4-5,8-9,13-14,16H,3,6-7,10-11H2,1H3
• InChIKey: GIERMKQJVHUGLN-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: methyl 2-(cyclohexylamino)-2-phenylacetate
• IUPAC传统名: methyl 2-(cyclohexylamino)-2-phenylacetate
• 别名: methyl (cyclohexylamino)(phenyl)acetate

登记号

• CAS号: 78907-07-0
• MDL号: MFCD03075548

理论计算性质

• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): 2.2497401
• LogD (pH = 7.4): 3.1285677
• Log P: 3.166699
• 摩尔折射率: 70.9192 cm^3
• 极化性: 28.463522 Å^3
• 极化表面积: 38.33 Å^2