5-Butyryloxy-5-(alpha-Methylbenzyl)Barbituric Acid
[CAS# 53761-09-4]

Identification

• Name: 5-Butyryloxy-5-(alpha-Methylbenzyl)Barbituric Acid
• Synonyms: [2,4,6-Trioxo-5-(2-Phenylethyl)Hexahydropyrimidin-5-Yl] Butanoate; Butanoic Acid [2,4,6-Trioxo-5-(2-Phenylethyl)-5-Hexahydropyrimidinyl] Ester; Butyric Acid [2,4,6-Triketo-5-(2-Phenylethyl)Hexahydropyrimidin-5-Yl] Ester
• Molecular Formula: C₁₆H₁₈N₂O₅
• Molecular Weight: 318.33
• CAS Registry Number: 53761-09-4
• SMILES: C1=CC=CC=C1CCC2(C(NC(NC2=O)=O)=O)OC(=O)CCC
• InChI: 1S/C16H18N2O5/c1-2-6-12(19)23-16(10-9-11-7-4-3-5-8-11)13(20)17-15(22)18-14(16)21/h3-5,7-8H,2,6,9-10H2,1H3,(H2,17,18,20,21,22)
• InChIKey: FRCFCYBYJJVOBG-UHFFFAOYSA-N

Properties

• Density: 1.299g/cm³ (Cal.)