N-{[(Z)-N'-hydroxycarbamimidoyl]methyl}acetamide

• ChemBase编号: 309993
• 分子式: C4H9N3O2
• 平均质量: 131.13316
• 单一同位素质量: 131.06947654
• SMILES: C(=N\O)(/CNC(=O)C)\N
• Canonical SMILES: CC(=O)NC/C(=N/O)/N
• InChI: InChI=1S/C4H9N3O2/c1-3(8)6-2-4(5)7-9/h9H,2H2,1H3,(H2,5,7)(H,6,8)
• InChIKey: SMJUVNGMYHLQES-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-{[(Z)-N'-hydroxycarbamimidoyl]methyl}acetamide
• IUPAC传统名: N-{[(Z)-N'-hydroxycarbamimidoyl]methyl}acetamide
• 别名: N-[(2Z)-2-amino-2-(hydroxyimino)ethyl]acetamide

登记号

• MDL号: MFCD12794131

理论计算性质

• 质子受体: 4
• 质子供体: 3
• LogD (pH = 5.5): -2.1015246
• LogD (pH = 7.4): -2.0696163
• Log P: -2.0689251
• 摩尔折射率: 31.2132 cm^3
• 极化性: 11.977857 Å^3
• 极化表面积: 87.71 Å^2