[(1,3-dimethylpyrrolidin-3-yl)methyl](methyl)amine

• ChemBase编号: 306643
• 分子式: C8H18N2
• 平均质量: 142.24192
• 单一同位素质量: 142.14699859
• SMILES: N1(CC(CC1)(CNC)C)C
• Canonical SMILES: CNCC1(C)CCN(C1)C
• InChI: InChI=1S/C8H18N2/c1-8(6-9-2)4-5-10(3)7-8/h9H,4-7H2,1-3H3
• InChIKey: VOBHWILMARPNBN-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: [(1,3-dimethylpyrrolidin-3-yl)methyl](methyl)amine
• IUPAC传统名: [(1,3-dimethylpyrrolidin-3-yl)methyl](methyl)amine
• 别名: 1-(1,3-dimethylpyrrolidin-3-yl)-N-methylmethanamine

登记号

• CAS号: 938458-86-7
• MDL号: MFCD09055202

理论计算性质

• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): -5.3959184
• LogD (pH = 7.4): -3.281906
• Log P: 0.38386804
• 摩尔折射率: 44.6056 cm^3
• 极化性: 17.811394 Å^3
• 极化表面积: 15.27 Å^2