ethyl[1-(pyridin-3-yl)ethyl]amine

• ChemBase编号: 168687
• 分子式: C9H14N2
• 平均质量: 150.22086
• 单一同位素质量: 150.11569846
• SMILES: c1cncc(c1)C(NCC)C
• Canonical SMILES: CCNC(c1cccnc1)C
• InChI: InChI=1S/C9H14N2/c1-3-11-8(2)9-5-4-6-10-7-9/h4-8,11H,3H2,1-2H3
• InChIKey: DKNOPKLVHKNERI-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: ethyl[1-(pyridin-3-yl)ethyl]amine
• IUPAC传统名: ethyl[1-(pyridin-3-yl)ethyl]amine
• 别名: (±)-N-Ethyl-α-methyl-3-pyridinemethanamine; (±)-3-[1-(Ethylamino)ethyl]pyridine; N-Ethyl-α-methyl-3-pyridinemethanamine; ethyl[1-(pyridin-3-yl)ethyl]amine

登记号

• CAS号: 5746-54-3
• MDL号: MFCD09941689
• PubChem SID: 162262819
• PubChem CID: 14619192

理论计算性质

• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): -2.0683603
• LogD (pH = 7.4): -0.88450646
• Log P: 1.0873052
• 摩尔折射率: 46.3165 cm^3
• 极化性: 18.34281 Å^3
• 极化表面积: 24.92 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true

分子性质

理化性质

• 疏水性(logP): 0.851

产品相关信息

• 纯度: 95%

详细说明

Toronto Research Chemicals - E925165

A pyridine derivative used in the preparation of nicotine analogs as potential insecticides.