5-Benzyl-5-(3-Methyl-2-Butenyl)Barbituric Acid
[CAS# 66942-01-6]

Identification

• Name: 5-Benzyl-5-(3-Methyl-2-Butenyl)Barbituric Acid
• Synonyms: 5-(3-Methylbut-2-Enyl)-5-(Phenylmethyl)Hexahydropyrimidine-2,4,6-Trione; 5-(Benzyl)-5-(3-Methylbut-2-Enyl)Barbituric Acid; 4-24-00-02112 (Beilstein Handbook Reference)
• Molecular Formula: C₁₆H₁₈N₂O₃
• Molecular Weight: 286.33
• CAS Registry Number: 66942-01-6
• SMILES: C2=C(CC1(C(=O)NC(=O)NC1=O)CC=C(C)C)C=CC=C2
• InChI: 1S/C16H18N2O3/c1-11(2)8-9-16(10-12-6-4-3-5-7-12)13(19)17-15(21)18-14(16)20/h3-8H,9-10H2,1-2H3,(H2,17,18,19,20,21)
• InChIKey: DJIBGLDEWISRAV-UHFFFAOYSA-N

Properties

• Density: 1.167g/cm³ (Cal.)