2-methyl-3H,4H,5H,6H,7H-imidazo[4,5-c]pyridine dihydrochloride

• ChemBase编号: 293483
• 分子式: C7H13Cl2N3
• 平均质量: 210.10422
• 单一同位素质量: 209.04865279
• SMILES: Cl.Cl.Cc1nc2c(CNCC2)[nH]1
• Canonical SMILES: Cc1nc2c([nH]1)CNCC2.Cl.Cl
• InChI: InChI=1S/C7H11N3.2ClH/c1-5-9-6-2-3-8-4-7(6)10-5;;/h8H,2-4H2,1H3,(H,9,10);2*1H
• InChIKey: YXZHZOPFKSZUCI-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-methyl-3H,4H,5H,6H,7H-imidazo[4,5-c]pyridine dihydrochloride
• IUPAC传统名: 2-methyl-3H,4H,5H,6H,7H-imidazo[4,5-c]pyridine dihydrochloride
• 别名: 2-Methyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine dihydrochloride

登记号

• CAS号: 485402-39-9
• PubChem SID: 180679014
• PubChem CID: 45789992

理论计算性质

• Acid pKa: 14.273276
• 质子受体: 2
• 质子供体: 2
• LogD (pH = 5.5): -3.6066911
• LogD (pH = 7.4): -1.5100014
• Log P: -0.4740976
• 摩尔折射率: 39.3108 cm^3
• 极化性: 15.1462965 Å^3
• 极化表面积: 40.71 Å^2
• 可自由旋转的化学键: 0
• 里宾斯基五规则: true

分子性质

产品相关信息

• 纯度: 95+%