Probarbital
[CAS# 76-76-6]

Identification

• Name: Probarbital
• Synonyms: 5-Ethyl-5-Isopropyl-Hexahydropyrimidine-2,4,6-Trione; 5-Ethyl-5-Isopropylhexahydropyrimidine-2,4,6-Trione; 5-Ethyl-5-Isopropyl-Barbituric Acid
• Molecular Formula: C₉H₁₄N₂O₃
• Molecular Weight: 198.22
• CAS Registry Number: 76-76-6
• SMILES: C(C1(C(NC(=O)NC1=O)=O)C(C)C)C
• InChI: 1S/C9H14N2O3/c1-4-9(5(2)3)6(12)10-8(14)11-7(9)13/h5H,4H2,1-3H3,(H2,10,11,12,13,14)
• InChIKey: HHLXJTDUHFBYAU-UHFFFAOYSA-N

Properties

• Density: 1.125g/cm³ (Cal.)

References

• (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