2-(4-hydrazinyl-6-methylpyrimidin-2-yl)phenol

• ChemBase编号: 310661
• 分子式: C11H12N4O
• 平均质量: 216.23918
• 单一同位素质量: 216.10111102
• SMILES: c1(nc(cc(n1)C)NN)c1c(O)cccc1
• Canonical SMILES: NNc1cc(C)nc(n1)c1ccccc1O
• InChI: InChI=1S/C11H12N4O/c1-7-6-10(15-12)14-11(13-7)8-4-2-3-5-9(8)16/h2-6,16H,12H2,1H3,(H,13,14,15)
• InChIKey: GQTRGNQVUCOOHT-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-(4-hydrazinyl-6-methylpyrimidin-2-yl)phenol
• IUPAC传统名: 2-(4-hydrazinyl-6-methylpyrimidin-2-yl)phenol
• 别名: 2-(4-hydrazino-6-methylpyrimidin-2-yl)phenol

登记号

• CAS号: 300358-31-0
• MDL号: MFCD00476689

理论计算性质

• 质子受体: 5
• 质子供体: 3
• LogD (pH = 5.5): 2.1057415
• LogD (pH = 7.4): 1.9271767
• Log P: 2.2844346
• 摩尔折射率: 74.726 cm^3
• 极化性: 23.742373 Å^3
• 极化表面积: 84.06 Å^2