2,3,6,7-Tetrahydro-1,3-Dimethyl-2,6-Dioxo-1H-Purine-8-Acetic Acid
[CAS# 5439-51-0]

Identification

• Name: 2,3,6,7-Tetrahydro-1,3-Dimethyl-2,6-Dioxo-1H-Purine-8-Acetic Acid
• Synonyms: 2-(2,6-Diketo-1,3-Dimethyl-7H-Purin-8-Yl)Acetic Acid; 2-(1,3-Dimethyl-2,6-Dioxo-7H-Purin-8-Yl)Ethanoic Acid; 0-26-00-00575 (Beilstein Handbook Reference)
• Molecular Formula: C₉H₁₀N₄O₄
• Molecular Weight: 238.20
• CAS Registry Number: 5439-51-0
• SMILES: C(C2=NC1=C(C(N(C)C(N1C)=O)=O)[NH]2)C(O)=O
• InChI: 1S/C9H10N4O4/c1-12-7-6(8(16)13(2)9(12)17)10-4(11-7)3-5(14)15/h3H2,1-2H3,(H,10,11)(H,14,15)
• InChIKey: ROGKZDYGTGQMHE-UHFFFAOYSA-N

Properties

• Density: 1.584g/cm³ (Cal.)
• Boiling point: 606.765°C at 760 mmHg (Cal.)
• Flash point: 320.76°C (Cal.)