methyl[3-(1-methyl-1H-imidazol-2-yl)propyl]amine

• ChemBase编号: 307651
• 分子式: C8H15N3
• 平均质量: 153.2248
• 单一同位素质量: 153.1265975
• SMILES: n1(c(ncc1)CCCNC)C
• Canonical SMILES: CNCCCc1nccn1C
• InChI: InChI=1S/C8H15N3/c1-9-5-3-4-8-10-6-7-11(8)2/h6-7,9H,3-5H2,1-2H3
• InChIKey: DDHOOAHZOZOEHW-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: methyl[3-(1-methyl-1H-imidazol-2-yl)propyl]amine
• IUPAC传统名: methyl[3-(1-methylimidazol-2-yl)propyl]amine
• 别名: N-methyl-3-(1-methyl-1H-imidazol-2-yl)propan-1-amine

登记号

• MDL号: MFCD09971193

理论计算性质

• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): -3.9279468
• LogD (pH = 7.4): -2.5856109
• Log P: 0.23564108
• 摩尔折射率: 45.9389 cm^3
• 极化性: 17.71717 Å^3
• 极化表面积: 29.85 Å^2