6-(3-ethylpiperidin-1-yl)-5-methylpyridin-3-amine hydrochloride

• ChemBase编号: 246827
• 分子式: C13H22ClN3
• 平均质量: 255.78688
• 单一同位素质量: 255.1502254
• SMILES: c1(N2CC(CCC2)CC)ncc(cc1C)N.Cl
• Canonical SMILES: CCC1CCCN(C1)c1ncc(cc1C)N.Cl
• InChI: InChI=1S/C13H21N3.ClH/c1-3-11-5-4-6-16(9-11)13-10(2)7-12(14)8-15-13;/h7-8,11H,3-6,9,14H2,1-2H3;1H
• InChIKey: KGOJHRNHBGBFEO-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 6-(3-ethylpiperidin-1-yl)-5-methylpyridin-3-amine hydrochloride
• IUPAC传统名: 6-(3-ethylpiperidin-1-yl)-5-methylpyridin-3-amine hydrochloride
• 别名: 6-(3-ethylpiperidin-1-yl)-5-methylpyridin-3-amine hydrochloride

登记号

• PubChem SID: 164302737
• PubChem CID: 71758082

理论计算性质

• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): 1.4523141
• LogD (pH = 7.4): 2.520252
• Log P: 2.8024778
• 摩尔折射率: 69.5994 cm^3
• 极化性: 25.64052 Å^3
• 极化表面积: 42.15 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

分子性质

理化性质

• 熔点: 114 - 116°C
• 疏水性(logP): 3.252

产品相关信息

• 纯度: 95%