6-methoxy-2-N-methylpyridine-2,3-diamine dihydrochloride

• ChemBase编号: 92400
• 分子式: C7H13Cl2N3O
• 平均质量: 226.10362
• 单一同位素质量: 225.04356741
• SMILES: n1c(c(ccc1OC)N)NC.Cl.Cl
• Canonical SMILES: CNc1nc(OC)ccc1N.Cl.Cl
• InChI: InChI=1S/C7H11N3O.2ClH/c1-9-7-5(8)3-4-6(10-7)11-2;;/h3-4H,8H2,1-2H3,(H,9,10);2*1H
• InChIKey: GYLCRBBRGGGHBS-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 6-methoxy-2-N-methylpyridine-2,3-diamine dihydrochloride; 6-methoxy-N2-methylpyridine-2,3-diamine dihydrochloride
• IUPAC传统名: 6-methoxy-2-N-methylpyridine-2,3-diamine dihydrochloride; 6-methoxy-N2-methylpyridine-2,3-diamine dihydrochloride
• 别名: 3-Amino-6-methoxy-2-(methylamino)pyridine dihydrochloride; 6-Methoxy-N2-Methylpyridine-2,3-diaMine dihydrochloride

登记号

• CAS号: 83732-72-3
• MDL号: MFCD08543464
• PubChem SID: 162079098
• PubChem CID: 5743759

理论计算性质

• 质子受体: 4
• 质子供体: 2
• LogD (pH = 5.5): 0.3104129
• LogD (pH = 7.4): 0.42892295
• Log P: 0.43066937
• 摩尔折射率: 45.8855 cm^3
• 极化性: 16.08191 Å^3
• 极化表面积: 60.17 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

分子性质

产品相关信息

• 纯度: 97%