1,3-Diethylpyrimidine-2,4,6(1H,3H,5H)-Trione
[CAS# 32479-73-5]

Identification

• Name: 1,3-Diethylpyrimidine-2,4,6(1H,3H,5H)-Trione
• Synonyms: 1,3-Diethylhexahydropyrimidine-2,4,6-Trione; 1,3-Diethylbarbituric Acid; Zinc02574922
• Molecular Formula: C₈H₁₂N₂O₃
• Molecular Weight: 184.19
• CAS Registry Number: 32479-73-5
• EINECS: 251-064-3
• SMILES: C(N1C(N(C(=O)CC1=O)CC)=O)C
• InChI: 1S/C8H12N2O3/c1-3-9-6(11)5-7(12)10(4-2)8(9)13/h3-5H2,1-2H3
• InChIKey: XUCMDLYIYOXEBF-UHFFFAOYSA-N

Properties

• Density: 1.202g/cm³ (Cal.)
• Boiling point: 262.878°C at 760 mmHg (Cal.)
• Flash point: 107.426°C (Cal.)

References

• (1): Valerio Bertolasi, Paola Gilli, Valeria Ferretti and Gastone Gilli. Competition between hydrogen bonding and donor–acceptor interactions in co-crystals of 1,3-dimethylbarbituric acid with aromatic amines, New J. Chem., 2001, 25, 408.