(Z)-N'-hydroxy-2-(morpholin-4-yl)propimidamide

• ChemBase编号: 308858
• 分子式: C7H15N3O2
• 平均质量: 173.2129
• 单一同位素质量: 173.11642674
• SMILES: C(=N\O)(/C(N1CCOCC1)C)\N
• Canonical SMILES: CC(/C(=N/O)/N)N1CCOCC1
• InChI: InChI=1S/C7H15N3O2/c1-6(7(8)9-11)10-2-4-12-5-3-10/h6,11H,2-5H2,1H3,(H2,8,9)
• InChIKey: GUECITOLQOMADB-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: (Z)-N'-hydroxy-2-(morpholin-4-yl)propimidamide
• IUPAC传统名: (Z)-N'-hydroxy-2-(morpholin-4-yl)propimidamide
• 别名: (1Z)-N'-hydroxy-2-(4-morpholinyl)propanimidamide

登记号

• CAS号: 720706-09-2
• MDL号: MFCD12198496

理论计算性质

• 质子受体: 5
• 质子供体: 2
• LogD (pH = 5.5): -1.106998
• LogD (pH = 7.4): -0.7298151
• Log P: -0.7218796
• 摩尔折射率: 45.4071 cm^3
• 极化性: 17.7072 Å^3
• 极化表面积: 71.08 Å^2