1-(pyridin-3-yl)propan-1-amine

• ChemBase编号: 143913
• 分子式: C8H12N2
• 平均质量: 136.19428
• 单一同位素质量: 136.10004839
• SMILES: CCC(c1cccnc1)N
• Canonical SMILES: CCC(c1cccnc1)N
• InChI: InChI=1S/C8H12N2/c1-2-8(9)7-4-3-5-10-6-7/h3-6,8H,2,9H2,1H3
• InChIKey: VQGKOCARCUCUMC-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1-(pyridin-3-yl)propan-1-amine
• IUPAC传统名: 1-(pyridin-3-yl)propan-1-amine
• 别名: 1-(3-Pyridinyl)-1-propanamine; 1-(3-pyridinyl)-1-propanamine

登记号

• CAS号: 60289-67-0
• MDL号: MFCD09802326
• PubChem SID: 162238130
• PubChem CID: 19805435

理论计算性质

• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): -2.1642473
• LogD (pH = 7.4): -1.1853232
• Log P: 0.8204392
• 摩尔折射率: 41.3173 cm^3
• 极化性: 16.496264 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): C8H12N2

详细说明

Sigma Aldrich - CBR00143

Other Notes
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