5-Pentyl-1,3-Diphenylbarbituric Acid
[CAS# 5148-23-2]

Identification

• Name: 5-Pentyl-1,3-Diphenylbarbituric Acid
• Synonyms: 5-Pentyl-1,3-Di(Phenyl)Hexahydropyrimidine-2,4,6-Trione; 5-Amyl-1,3-Di(Phenyl)Barbituric Acid; 1,3-Diphenyl-5-Pentylbarbituric Acid
• Molecular Formula: C₂₁H₂₂N₂O₃
• Molecular Weight: 350.42
• CAS Registry Number: 5148-23-2
• SMILES: C1=CC=CC=C1N2C(N(C(C(C2=O)CCCCC)=O)C3=CC=CC=C3)=O
• InChI: 1S/C21H22N2O3/c1-2-3-6-15-18-19(24)22(16-11-7-4-8-12-16)21(26)23(20(18)25)17-13-9-5-10-14-17/h4-5,7-14,18H,2-3,6,15H2,1H3
• InChIKey: JWQYKFIJMDTUFX-UHFFFAOYSA-N

Properties

• Density: 1.194g/cm³ (Cal.)
• Boiling point: 473.403°C at 760 mmHg (Cal.)
• Flash point: 195.163°C (Cal.)