[(2-chloropyridin-3-yl)methyl](methyl)amine hydrochloride

• ChemBase编号: 143777
• 分子式: C7H10Cl2N2
• 平均质量: 193.0737
• 单一同位素质量: 192.02210369
• SMILES: CNCc1cccnc1Cl.Cl
• Canonical SMILES: CNCc1cccnc1Cl.Cl
• InChI: InChI=1S/C7H9ClN2.ClH/c1-9-5-6-3-2-4-10-7(6)8;/h2-4,9H,5H2,1H3;1H
• InChIKey: VVQJYZGRSOTUJK-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: [(2-chloropyridin-3-yl)methyl](methyl)amine hydrochloride
• IUPAC传统名: [(2-chloropyridin-3-yl)methyl](methyl)amine hydrochloride
• 别名: 1-(2-Chloropyridin-3-yl)-N-methylmethanamine hydrochloride

登记号

• MDL号: MFCD15204346
• PubChem SID: 162237994
• PubChem CID: 53398880

理论计算性质

• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): -1.661108
• LogD (pH = 7.4): 0.014587721
• Log P: 1.138144
• 摩尔折射率: 43.0152 cm^3
• 极化性: 16.56588 Å^3
• 极化表面积: 24.92 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

• Empirical Formula (Hill Notation): C7H10Cl2N2

详细说明

Sigma Aldrich - CBR00860

Other Notes
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