(Z)-N'-hydroxy-2-methylbutimidamide

• ChemBase编号: 309660
• 分子式: C5H12N2O
• 平均质量: 116.16158
• 单一同位素质量: 116.09496301
• SMILES: C(=N\O)(\N)/C(CC)C
• Canonical SMILES: CC(/C(=N/O)/N)CC
• InChI: InChI=1S/C5H12N2O/c1-3-4(2)5(6)7-8/h4,8H,3H2,1-2H3,(H2,6,7)
• InChIKey: ZFGUAQSDWQIVMM-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: (Z)-N'-hydroxy-2-methylbutimidamide
• IUPAC传统名: (Z)-N'-hydroxy-2-methylbutimidamide
• 别名: (1Z)-N'-hydroxy-2-methylbutanimidamide

登记号

• MDL号: MFCD11168464

理论计算性质

• 质子受体: 3
• 质子供体: 2
• LogD (pH = 5.5): 0.14055306
• LogD (pH = 7.4): 0.70902026
• Log P: 0.7244489
• 摩尔折射率: 32.2121 cm^3
• 极化性: 12.503296 Å^3
• 极化表面积: 58.61 Å^2