5-Butyl-1,3-Diphenylbarbituric Acid
[CAS# 745-34-6]

Identification

• Name: 5-Butyl-1,3-Diphenylbarbituric Acid
• Synonyms: 5-Butyl-1,3-Di(Phenyl)Hexahydropyrimidine-2,4,6-Trione; 5-Butyl-1,3-Di(Phenyl)Barbituric Acid; Brn 0764961
• Molecular Formula: C₂₀H₂₀N₂O₃
• Molecular Weight: 336.39
• CAS Registry Number: 745-34-6
• SMILES: C1=CC=CC=C1N3C(N(C2=CC=CC=C2)C(C(C3=O)CCCC)=O)=O
• InChI: 1S/C20H20N2O3/c1-2-3-14-17-18(23)21(15-10-6-4-7-11-15)20(25)22(19(17)24)16-12-8-5-9-13-16/h4-13,17H,2-3,14H2,1H3
• InChIKey: BDXKIVHGIVLZBS-UHFFFAOYSA-N

Properties

• Density: 1.214g/cm³ (Cal.)
• Boiling point: 461.593°C at 760 mmHg (Cal.)
• Flash point: 192.889°C (Cal.)