methyl({[1-(morpholin-4-yl)cyclohexyl]methyl})amine

• ChemBase编号: 306569
• 分子式: C12H24N2O
• 平均质量: 212.33176
• 单一同位素质量: 212.1888634
• SMILES: N1(C2(CNC)CCCCC2)CCOCC1
• Canonical SMILES: CNCC1(CCCCC1)N1CCOCC1
• InChI: InChI=1S/C12H24N2O/c1-13-11-12(5-3-2-4-6-12)14-7-9-15-10-8-14/h13H,2-11H2,1H3
• InChIKey: NYEQGTYSDSKVFR-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: methyl({[1-(morpholin-4-yl)cyclohexyl]methyl})amine
• IUPAC传统名: methyl({[1-(morpholin-4-yl)cyclohexyl]methyl})amine
• 别名: N-methyl-1-(1-morpholin-4-ylcyclohexyl)methanamine

登记号

• CAS号: 938458-83-4
• MDL号: MFCD09055188

理论计算性质

• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): -2.5236802
• LogD (pH = 7.4): -1.4099805
• Log P: 1.3303049
• 摩尔折射率: 62.6908 cm^3
• 极化性: 25.1236 Å^3
• 极化表面积: 24.5 Å^2