(Z)-N'-hydroxy-3-(4-methylpiperazin-1-yl)propimidamide

• ChemBase编号: 308789
• 分子式: C8H18N4O
• 平均质量: 186.25472
• 单一同位素质量: 186.14806122
• SMILES: N1(CC/C(=N/O)/N)CCN(CC1)C
• Canonical SMILES: O/N=C(/CCN1CCN(CC1)C)\N
• InChI: InChI=1S/C8H18N4O/c1-11-4-6-12(7-5-11)3-2-8(9)10-13/h13H,2-7H2,1H3,(H2,9,10)
• InChIKey: QLBHBZSLRDGQTH-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: (Z)-N'-hydroxy-3-(4-methylpiperazin-1-yl)propimidamide
• IUPAC传统名: (Z)-N'-hydroxy-3-(4-methylpiperazin-1-yl)propimidamide
• 别名: (1Z)-N'-hydroxy-3-(4-methyl-1-piperazinyl)propanimidamide

登记号

• CAS号: 108372-23-2
• MDL号: MFCD09930757

理论计算性质

• 质子受体: 5
• 质子供体: 2
• LogD (pH = 5.5): -4.24881
• LogD (pH = 7.4): -2.144244
• Log P: -0.98801106
• 摩尔折射率: 52.5882 cm^3
• 极化性: 20.350134 Å^3
• 极化表面积: 65.09 Å^2