4,5,6,7-tetrahydro-2H-indazol-6-amine dihydrochloride

• ChemBase编号: 310293
• 分子式: C7H13Cl2N3
• 平均质量: 210.10422
• 单一同位素质量: 209.04865279
• SMILES: c12c(c[nH]n1)CCC(C2)N.Cl.Cl
• Canonical SMILES: NC1CCc2c(C1)n[nH]c2.Cl.Cl
• InChI: InChI=1S/C7H11N3.2ClH/c8-6-2-1-5-4-9-10-7(5)3-6;;/h4,6H,1-3,8H2,(H,9,10);2*1H
• InChIKey: HOFMBFYWCUCJBX-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 4,5,6,7-tetrahydro-2H-indazol-6-amine dihydrochloride
• IUPAC传统名: 4,5,6,7-tetrahydro-2H-indazol-6-amine dihydrochloride
• 别名: 4,5,6,7-tetrahydro-2H-indazol-6-amine dihydrochloride

理论计算性质

• 质子受体: 2
• 质子供体: 2
• LogD (pH = 5.5): -2.7444134
• LogD (pH = 7.4): -2.0416248
• Log P: 0.2659071
• 摩尔折射率: 39.9768 cm^3
• 极化性: 15.139101 Å^3
• 极化表面积: 54.7 Å^2