5-chloro-N-cyclohexylpentanamide

• ChemBase编号: 164125
• 分子式: C11H20ClNO
• 平均质量: 217.7356
• 单一同位素质量: 217.12334195
• SMILES: N(C1CCCCC1)C(=O)CCCCCl
• Canonical SMILES: ClCCCCC(=O)NC1CCCCC1
• InChI: InChI=1S/C11H20ClNO/c12-9-5-4-8-11(14)13-10-6-2-1-3-7-10/h10H,1-9H2,(H,13,14)
• InChIKey: OBOBOCFRZMDIDG-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 5-chloro-N-cyclohexylpentanamide
• IUPAC传统名: 5-chloro-N-cyclohexylpentanamide
• 别名: 5-Chloro-N-cyclohexyl-valeramide; 5-Chloro-N-cyclohexylvaleramide; N-Cyclohexyl-5-chloropentanamide; 5-Chloro-N-cyclohexylpentanamide; N-CYCLOHEXYL-5-CHLOROVALERAMIDE

登记号

• CAS号: 15865-18-6
• PubChem SID: 162258260
• PubChem CID: 11672974

理论计算性质

• Acid pKa: 15.39106
• 质子受体: 1
• 质子供体: 1
• LogD (pH = 5.5): 2.5002444
• LogD (pH = 7.4): 2.5002446
• Log P: 2.5002446
• 摩尔折射率: 59.1854 cm^3
• 极化性: 23.295063 Å^3
• 极化表面积: 29.1 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: true

分子性质

理化性质

• 外观: Off-white Solid

产品相关信息

• 纯度: 98%