5-Allyl-5-Isopropyl-1,3-Dimethyl-2,4,6(1H,3H,5H)-Pyrimidinetrione
[CAS# 27509-65-5]

Identification

• Name: 5-Allyl-5-Isopropyl-1,3-Dimethyl-2,4,6(1H,3H,5H)-Pyrimidinetrione
• Synonyms: 1,3-Dimethyl derivative of Aprobarbital; 5-Allyl-5-isopropyl-1,3-dimethyl-2,4,6(1H,3H,5H)-pyrimidinetrione; 5-Allyl-5-isopropyl-1,3-dimethyl-2,4,6(1H,3H,5H)-pyrimidinetrione #
• Molecular Formula: C₁₂H₁₈N₂O₃
• Molecular Weight: 238.28
• CAS Registry Number: 27509-65-5
• SMILES: O=C1N(C(=O)C(C(=O)N1C)(C\C=C)C(C)C)C
• InChI: 1S/C12H18N2O3/c1-6-7-12(8(2)3)9(15)13(4)11(17)14(5)10(12)16/h6,8H,1,7H2,2-5H3
• InChIKey: VWSMYPQLKQLMPN-UHFFFAOYSA-N

Properties

• Density: 1.094g/cm³ (Cal.)
• Boiling point: 300.818°C at 760 mmHg (Cal.)
• Flash point: 111.958°C (Cal.)
• Refractive index: 1.489 (Cal.)