1-methyl-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridine dihydrochloride

• ChemBase编号: 185643
• 分子式: C7H13Cl2N3
• 平均质量: 210.10422
• 单一同位素质量: 209.04865279
• SMILES: n1c2c(n(c1)C)CCNC2.Cl.Cl
• Canonical SMILES: Cn1cnc2c1CCNC2.Cl.Cl
• InChI: InChI=1S/C7H11N3.2ClH/c1-10-5-9-6-4-8-3-2-7(6)10;;/h5,8H,2-4H2,1H3;2*1H
• InChIKey: ZKVLOJXPCWMCBV-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1-methyl-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridine dihydrochloride
• IUPAC传统名: 1-methyl-4H,5H,6H,7H-imidazo[4,5-c]pyridine dihydrochloride
• 别名: 1-methyl-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridine dihydrochloride

登记号

• MDL号: MFCD18785463
• PubChem SID: 164241553
• PubChem CID: 13150255

理论计算性质

• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): -2.8172364
• LogD (pH = 7.4): -1.271341
• Log P: -0.55053926
• 摩尔折射率: 39.9328 cm^3
• 极化性: 15.141322 Å^3
• 极化表面积: 29.85 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

• 疏水性(logP): -0.79

产品相关信息

• 纯度: 95%
• 成盐信息: 2 HCl
• 分类: Rare Derivatives of Natural Compounds