5-乙基-5-(双环(3.2.1)辛烯基)巴比妥酸
[CAS# 3625-25-0]

基本信息

• 产品名称: 5-乙基-5-(双环(3.2.1)辛烯基)巴比妥酸
• 英文名: 5-Ethyl-5-(bicyclo(3.2.1)octenyl)barbituric acid
• 别名: 5-(3-Bicyclo[3.2.1]Oct-3-Enyl)-5-Ethyl-Hexahydropyrimidine-2,4,6-Trione; 5-(3-Bicyclo[3.2.1]Oct-3-Enyl)-5-Ethylhexahydropyrimidine-2,4,6-Trione; 5-(3-Bicyclo[3.2.1]Oct-3-Enyl)-5-Ethyl-Barbituric Acid
• 分子式: C₁₄H₁₈N₂O₃
• 分子量: 262.31
• CAS 登录号: 3625-25-0
• 分子行输入简码 SMILES: C(C3(C1=CC2CC(C1)CC2)C(=O)NC(=O)NC3=O)C
• 国际化学标识码 InChI: 1S/C14H18N2O3/c1-2-14(11(17)15-13(19)16-12(14)18)10-6-8-3-4-9(5-8)7-10/h6,8-9H,2-5,7H2,1H3,(H2,15,16,17,18,19)
• 国际化学标识检索码 InChIKey: MKELYWOVSPVORM-UHFFFAOYSA-N

物理化学性质

• 密度: 1.238g/cm³ （计算值）

参考文献

• (1): Igor V. Tetko, Vsevolod Yu. Tanchuk, Tamara N. Kasheva, and Alessandro E. P. Villa. Estimation of Aqueous Solubility of Chemical Compounds Using E-State Indices, J. Chem. Inf. Comput. Sci., 2001, 41 (6), pp 1488–1493