(6-chloro-5-methylpyridin-3-yl)methanamine hydrochloride

• ChemBase编号: 90590
• 分子式: C7H10Cl2N2
• 平均质量: 193.0737
• 单一同位素质量: 192.02210369
• SMILES: n1cc(cc(c1Cl)C)CN.Cl
• Canonical SMILES: NCc1cnc(c(c1)C)Cl.Cl
• InChI: InChI=1S/C7H9ClN2.ClH/c1-5-2-6(3-9)4-10-7(5)8;/h2,4H,3,9H2,1H3;1H
• InChIKey: WQUFVSQNLCVMJV-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: (6-chloro-5-methylpyridin-3-yl)methanamine hydrochloride
• IUPAC传统名: (6-chloro-5-methylpyridin-3-yl)methanamine hydrochloride
• 别名: (6-Chloro-5-methylpyridin-3-yl)methylamine hydrochloride; 5-(Aminomethyl)-2-chloro-3-methylpyridine hydrochloride

登记号

• PubChem SID: 162104774
• PubChem CID: 53395592

理论计算性质

• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): -1.7248768
• LogD (pH = 7.4): -0.53933376
• Log P: 1.2189851
• 摩尔折射率: 43.2818 cm^3
• 极化性: 16.48498 Å^3
• 极化表面积: 38.91 Å^2
• 可自由旋转的化学键: 1
• 里宾斯基五规则: true

分子性质

安全信息

• 保存注意事项: Harmful/Irritant/Keep Cold