2-hydrazinyl-4-methyl-4,5-dihydro-1H-imidazole dihydrochloride

• ChemBase编号: 243131
• 分子式: C4H12Cl2N4
• 平均质量: 187.07088
• 单一同位素质量: 186.04390176
• SMILES: C1(=NC(CN1)C)NN.Cl.Cl
• Canonical SMILES: NNC1=NC(CN1)C.Cl.Cl
• InChI: InChI=1S/C4H10N4.2ClH/c1-3-2-6-4(7-3)8-5;;/h3H,2,5H2,1H3,(H2,6,7,8);2*1H
• InChIKey: HJYNDAXPUIYLQX-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-hydrazinyl-4-methyl-4,5-dihydro-1H-imidazole dihydrochloride
• IUPAC传统名: 2-hydrazinyl-4-methyl-4,5-dihydro-1H-imidazole dihydrochloride
• 别名: 2-hydrazinyl-4-methyl-4,5-dihydro-1H-imidazole dihydrochloride

登记号

• PubChem SID: 164299041
• PubChem CID: 20348557

理论计算性质

• 质子受体: 4
• 质子供体: 3
• LogD (pH = 5.5): -3.176454
• LogD (pH = 7.4): -3.1192594
• Log P: -0.72214586
• 摩尔折射率: 42.5419 cm^3
• 极化性: 11.813872 Å^3
• 极化表面积: 62.44 Å^2
• 可自由旋转的化学键: 0
• 里宾斯基五规则: true

分子性质

理化性质

• 熔点: 165 - 167°C
• 疏水性(logP): -1.208

产品相关信息

• 纯度: 95%