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

• ChemBase编号: 55517
• 分子式: C6H11Cl2N3
• 平均质量: 196.07764
• 单一同位素质量: 195.03300273
• SMILES: C1NCCc2c1[nH]cn2.Cl.Cl
• Canonical SMILES: C1NCc2c(C1)nc[nH]2.Cl.Cl
• InChI: InChI=1S/C6H9N3.2ClH/c1-2-7-3-6-5(1)8-4-9-6;;/h4,7H,1-3H2,(H,8,9);2*1H
• InChIKey: NNMNMCZLZDPGQA-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 3H,4H,5H,6H,7H-imidazo[4,5-c]pyridine dihydrochloride; 1H,4H,5H,6H,7H-imidazo[4,5-c]pyridine dihydrochloride
• IUPAC传统名: 3H,4H,5H,6H,7H-imidazo[4,5-c]pyridine dihydrochloride; 1H,4H,5H,6H,7H-imidazo[4,5-c]pyridine dihydrochloride
• 别名: 4,5,6,7-Tetrahydro-3H-imidazo[4,5-c]pyridine dihydrochloride; 4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine dihydrochloride

登记号

• CAS号: 62002-31-7
• MDL号: MFCD00489308; MFCD00182087
• PubChem SID: 162060280
• PubChem CID: 16418004

理论计算性质

• Acid pKa: 13.049417
• 质子受体: 2
• 质子供体: 2
• LogD (pH = 5.5): -3.0089023
• LogD (pH = 7.4): -1.5087816
• Log P: -0.77421534
• 摩尔折射率: 35.0361 cm^3
• 极化性: 13.38156 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

安全信息

• 保存注意事项: IRRITANT
• TSCA收录: false

产品相关信息

• 纯度: 95+%
• 成盐信息: 2 HCl
• 分类: Genuine Natural Compounds