1-(pyridin-2-yl)propan-1-amine dihydrochloride

• ChemBase编号: 144067
• 分子式: C8H14Cl2N2
• 平均质量: 209.11616
• 单一同位素质量: 208.05340382
• SMILES: CCC(c1ccccn1)N.Cl.Cl
• Canonical SMILES: CCC(c1ccccn1)N.Cl.Cl
• InChI: InChI=1S/C8H12N2.2ClH/c1-2-7(9)8-5-3-4-6-10-8;;/h3-7H,2,9H2,1H3;2*1H
• InChIKey: ORURRAVEPLPSIJ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1-(pyridin-2-yl)propan-1-amine dihydrochloride
• IUPAC传统名: 1-(pyridin-2-yl)propan-1-amine dihydrochloride
• 别名: (1-Pyridin-2-ylpropyl)amine dihydrochloride

登记号

• MDL号: MFCD09028136
• PubChem SID: 162238284
• PubChem CID: 53398808

理论计算性质

• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): -1.7995725
• LogD (pH = 7.4): -0.37422568
• Log P: 1.0541004
• 摩尔折射率: 40.8702 cm^3
• 极化性: 16.497204 Å^3
• 极化表面积: 38.91 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): C8H14Cl2N2

详细说明

Sigma Aldrich - CBR00661

Other Notes
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