methyl[(1-methylpiperidin-2-yl)methyl]amine; bis(oxalic acid)

• ChemBase编号: 310295
• 分子式: C12H22N2O8
• 平均质量: 322.31168
• 单一同位素质量: 322.13761567
• SMILES: C(=O)(C(=O)O)O.C(=O)(C(=O)O)O.N1(C(CNC)CCCC1)C
• Canonical SMILES: OC(=O)C(=O)O.OC(=O)C(=O)O.CNCC1CCCCN1C
• InChI: InChI=1S/C8H18N2.2C2H2O4/c1-9-7-8-5-3-4-6-10(8)2;2*3-1(4)2(5)6/h8-9H,3-7H2,1-2H3;2*(H,3,4)(H,5,6)
• InChIKey: XQUZDUPVZBRLPE-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: methyl[(1-methylpiperidin-2-yl)methyl]amine; bis(oxalic acid)
• IUPAC传统名: methyl[(1-methylpiperidin-2-yl)methyl]amine; bis(oxalic acid)
• 别名: N-methyl-1-(1-methyl-2-piperidinyl)methanamine diethanedioate

理论计算性质

• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): -4.0779595
• LogD (pH = 7.4): -2.0551946
• Log P: 0.73589927
• 摩尔折射率: 44.5247 cm^3
• 极化性: 17.811394 Å^3
• 极化表面积: 15.27 Å^2