5-Allyl-5-Isobutyl-1,3-Dimethyl-2,4,6(1H,3H,5H)-Pyrimidinetrione
[CAS# 55045-04-0]

Identification

• Name: 5-Allyl-5-Isobutyl-1,3-Dimethyl-2,4,6(1H,3H,5H)-Pyrimidinetrione
• Synonyms: 1,3-Dimethyl derivative of Butalbital; 5-Allyl-5-isobutyl-1,3-dimethyl-2,4,6(1H,3H,5H)-pyrimidinetrione #; Allylbarbital, 1,3-dimethyl
• Molecular Formula: C₁₃H₂₀N₂O₃
• Molecular Weight: 252.31
• CAS Registry Number: 55045-04-0
• SMILES: O=C1N(C(=O)C(C(=O)N1C)(C\C=C)CC(C)C)C
• InChI: 1S/C13H20N2O3/c1-6-7-13(8-9(2)3)10(16)14(4)12(18)15(5)11(13)17/h6,9H,1,7-8H2,2-5H3
• InChIKey: GDEXVBXMOVNKKD-UHFFFAOYSA-N

Properties

• Density: 1.066g/cm³ (Cal.)
• Boiling point: 317.763°C at 760 mmHg (Cal.)
• Flash point: 117.724°C (Cal.)