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

• ChemBase编号: 307348
• 分子式: C8H15N3
• 平均质量: 153.2248
• 单一同位素质量: 153.1265975
• SMILES: c1(n(ccn1)C)CNCCC
• Canonical SMILES: CCCNCc1nccn1C
• InChI: InChI=1S/C8H15N3/c1-3-4-9-7-8-10-5-6-11(8)2/h5-6,9H,3-4,7H2,1-2H3
• InChIKey: VRNYCHMSJPVAFO-UHFFFAOYSA-N

名称和登记号

名称

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

登记号

• CAS号: 915922-13-3
• MDL号: MFCD08691582

理论计算性质

• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): -1.9112097
• LogD (pH = 7.4): -0.25943354
• Log P: 0.5892975
• 摩尔折射率: 45.7571 cm^3
• 极化性: 17.79362 Å^3
• 极化表面积: 29.85 Å^2