3-hydrazinyl-6-phenylpyridazine dihydrochloride

• ChemBase编号: 310210
• 分子式: C10H12Cl2N4
• 平均质量: 259.13508
• 单一同位素质量: 258.04390176
• SMILES: n1nc(NN)ccc1c1ccccc1.Cl.Cl
• Canonical SMILES: NNc1ccc(nn1)c1ccccc1.Cl.Cl
• InChI: InChI=1S/C10H10N4.2ClH/c11-12-10-7-6-9(13-14-10)8-4-2-1-3-5-8;;/h1-7H,11H2,(H,12,14);2*1H
• InChIKey: ATNYDCMPSLOOEU-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 3-hydrazinyl-6-phenylpyridazine dihydrochloride
• IUPAC传统名: 3-hydrazinyl-6-phenylpyridazine dihydrochloride
• 别名: 3-hydrazino-6-phenylpyridazine dihydrochloride

理论计算性质

• 质子受体: 4
• 质子供体: 2
• LogD (pH = 5.5): 1.5129423
• LogD (pH = 7.4): 1.7900103
• Log P: 1.7949792
• 摩尔折射率: 58.5488 cm^3
• 极化性: 22.091373 Å^3
• 极化表面积: 63.83 Å^2