2,6-Dioxo-1,3-Diazinane-4-Carboxylic Acid
[CAS# 155-54-4]

Identification

• Name: 2,6-Dioxo-1,3-Diazinane-4-Carboxylic Acid
• Synonyms: 2,6-Dioxohexahydropyrimidine-4-Carboxylic Acid; 2,6-Dioxo-4-Hexahydropyrimidinecarboxylic Acid; 2,6-Diketohexahydropyrimidine-4-Carboxylic Acid
• Molecular Formula: C₅H₆N₂O₄
• Molecular Weight: 158.11
• CAS Registry Number: 155-54-4
• SMILES: O=C(C1CC(NC(N1)=O)=O)O
• InChI: 1S/C5H6N2O4/c8-3-1-2(4(9)10)6-5(11)7-3/h2H,1H2,(H,9,10)(H2,6,7,8,11)
• InChIKey: UFIVEPVSAGBUSI-UHFFFAOYSA-N

Properties

• Density: 1.5±0.1g/cm³ (Cal.)
• Melting point: 254-255°C (Expl.)

Safety Data

• Safety Description: 26-37-60

References

• (1): Jose Kaneti, Anthony J. Kirby, Asen H. Koedjikov and Ivan G. Pojarlieff. Thorpe–Ingold effects in cyclizations to five-membered and six-membered rings containing planar segments. The rearrangement of N(1)-alkyl-substituted dihydroorotic acids to hydantoinacetic acids in base, Org. Biomol. Chem., 2004, 2, 1098.