[4-(morpholin-4-yl)phenyl]methanamine dihydrochloride

• ChemBase编号: 310256
• 分子式: C11H18Cl2N2O
• 平均质量: 265.17942
• 单一同位素质量: 264.07961857
• SMILES: N1(c2ccc(cc2)CN)CCOCC1.Cl.Cl
• Canonical SMILES: NCc1ccc(cc1)N1CCOCC1.Cl.Cl
• InChI: InChI=1S/C11H16N2O.2ClH/c12-9-10-1-3-11(4-2-10)13-5-7-14-8-6-13;;/h1-4H,5-9,12H2;2*1H
• InChIKey: JCHCYQKVFFFBED-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: [4-(morpholin-4-yl)phenyl]methanamine dihydrochloride
• IUPAC传统名: [4-(morpholin-4-yl)phenyl]methanamine dihydrochloride
• 别名: [4-(4-morpholinyl)benzyl]amine dihydrochloride

理论计算性质

• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): -2.010609
• LogD (pH = 7.4): -1.1739521
• Log P: 0.98855764
• 摩尔折射率: 58.0345 cm^3
• 极化性: 22.164276 Å^3
• 极化表面积: 38.49 Å^2