1-methylpiperidine-3-carboximidamide

• ChemBase编号: 309890
• 分子式: C7H15N3
• 平均质量: 141.2141
• 单一同位素质量: 141.1265975
• SMILES: C1(C(=N)N)CN(CCC1)C
• Canonical SMILES: CN1CCCC(C1)C(=N)N
• InChI: InChI=1S/C7H15N3/c1-10-4-2-3-6(5-10)7(8)9/h6H,2-5H2,1H3,(H3,8,9)
• InChIKey: YOEDLRORQIKPJA-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1-methylpiperidine-3-carboximidamide
• IUPAC传统名: 1-methylpiperidine-3-carboximidamide
• 别名: 1-methyl-3-piperidinecarboximidamide

登记号

• MDL号: MFCD20324346

理论计算性质

• 质子供体: 2
• LogD (pH = 5.5): -5.772326
• LogD (pH = 7.4): -4.0719757
• Log P: -0.31792685
• 摩尔折射率: 52.6323 cm^3
• 极化性: 16.282911 Å^3
• 极化表面积: 53.11 Å^2
• 质子受体: 3