1-(4-Benzoyloxycyclohexyl)-5-Butylbarbituric Acid
[CAS# 21330-98-3]

Identification

• Name: 1-(4-Benzoyloxycyclohexyl)-5-Butylbarbituric Acid
• Synonyms: [4-(5-Butyl-2,4,6-Trioxo-Hexahydropyrimidin-1-Yl)Cyclohexyl] Benzoate; Benzoic Acid [4-(5-Butyl-2,4,6-Trioxo-1-Hexahydropyrimidinyl)Cyclohexyl] Ester; Benzoic Acid [4-(5-Butyl-2,4,6-Triketo-Hexahydropyrimidin-1-Yl)Cyclohexyl] Ester
• Molecular Formula: C₂₁H₂₆N₂O₅
• Molecular Weight: 386.45
• CAS Registry Number: 21330-98-3
• SMILES: C3=C(C(OC2CCC(N1C(C(C(NC1=O)=O)CCCC)=O)CC2)=O)C=CC=C3
• InChI: 1S/C21H26N2O5/c1-2-3-9-17-18(24)22-21(27)23(19(17)25)15-10-12-16(13-11-15)28-20(26)14-7-5-4-6-8-14/h4-8,15-17H,2-3,9-13H2,1H3,(H,22,24,27)
• InChIKey: BOCFDPNAAMHRMT-UHFFFAOYSA-N

Properties

• Density: 1.257g/cm³ (Cal.)