5,5-Dibenzylbarbituric Acid
[CAS# 26371-47-1]

Identification

• Name: 5,5-Dibenzylbarbituric Acid
• Synonyms: 5,5-Bis(Phenylmethyl)Hexahydropyrimidine-2,4,6-Trione; 5,5-Bis(Benzyl)Barbituric Acid; Zinc01233247
• Molecular Formula: C₁₈H₁₆N₂O₃
• Molecular Weight: 308.34
• CAS Registry Number: 26371-47-1
• SMILES: C1=CC=CC=C1CC2(C(NC(NC2=O)=O)=O)CC3=CC=CC=C3
• InChI: 1S/C18H16N2O3/c21-15-18(16(22)20-17(23)19-15,11-13-7-3-1-4-8-13)12-14-9-5-2-6-10-14/h1-10H,11-12H2,(H2,19,20,21,22,23)
• InChIKey: SLCFHAGEVYERLB-UHFFFAOYSA-N

Properties

• Density: 1.269g/cm³ (Cal.)

References

• (1): P. M. Bhatt and G. R. Desiraju. 5,5-Dibenzylbarbituric acid monohydrate, Acta Cryst. (2007). E63, o771-o772