{7,7-dimethyl-2-oxobicyclo[2.2.1]heptan-1-yl}methanesulfonamide

• ChemBase编号: 163494
• 分子式: C10H17NO3S
• 平均质量: 231.31188
• 单一同位素质量: 231.09291441
• SMILES: C1(=O)C2(CCC(C1)C2(C)C)CS(=O)(=O)N
• Canonical SMILES: O=C1CC2C(C1(CC2)CS(=O)(=O)N)(C)C
• InChI: InChI=1S/C10H17NO3S/c1-9(2)7-3-4-10(9,8(12)5-7)6-15(11,13)14/h7H,3-6H2,1-2H3,(H2,11,13,14)
• InChIKey: SBLUNABTQYDFJM-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: {7,7-dimethyl-2-oxobicyclo[2.2.1]heptan-1-yl}methanesulfonamide
• IUPAC传统名: {7,7-dimethyl-2-oxobicyclo[2.2.1]heptan-1-yl}methanesulfonamide
• 别名: (1R)-10-樟脑磺酰胺; (1S)-10-樟脑内磺酰胺; (1R,4S)-7,7-Dimethyl-2-oxo-bicyclo[2.2.1]heptane-1-methanesulfonamide; d-10-Camphorsulfonamide; (1R)-10-Camphorsulfonamide; (1R)-(-)-10-Camphorsulfonamide; (1S,4R)-7,7-Dimethyl-2-oxo-bicyclo[2.2.1]heptane-1-methanesulfonamide; 10-Camphorsulfonamide; (+)-Camphorsulfonamide; (1S)-10-Camphorsulfonamide; (1S)-(+)-10-Camphorsulfonamide; (1R)-10-Camphorsulfonamide; (1S)-10-Camphorsulfonamide

登记号

• CAS号: 60933-63-3; 72597-34-3
• MDL号: MFCD00151500; MFCD00075611
• PubChem SID: 162257629
• PubChem CID: 573110

理论计算性质

• Acid pKa: 10.0640335
• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): 0.4077207
• LogD (pH = 7.4): 0.4068982
• Log P: 0.4077312
• 摩尔折射率: 56.1961 cm^3
• 极化性: 23.134464 Å^3
• 极化表面积: 77.23 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

• 溶解度: Dichloromethane
• 外观: Off-White Solid; Powder
• 熔点: 133-135°C dec.; 134°Cdec.

安全信息

• TSCA收录: 否

产品相关信息

• 纯度: 97%

详细说明

Toronto Research Chemicals - C175065

An amino chiral derivative of Camphor.

Toronto Research Chemicals - C175060

An amino chiral derivative of Camphor.

参考文献

• Peng, R., et al.: Biochem. Pharmacol., 35, 1391 (1986)
• Tanaka, E., et al.: Biochem. Pharmacol., 41, 472 (1986)
• Peng, R., et al.: Biochem. Pharmacol., 35, 1391 (1986)
• Tanaka, E., et al.: Biochem. Pharmacol., 41, 472 (1986)