2,3,6,7-Tetrahydro-3,7-Dimethyl-2,6-Dioxo-1H-Purine-1-Acetic Acid
[CAS# 5614-56-2]

Identification

• Name: 2,3,6,7-Tetrahydro-3,7-Dimethyl-2,6-Dioxo-1H-Purine-1-Acetic Acid
• Synonyms: 2-(3,7-Dimethyl-2,6-Dioxo-Purin-1-Yl)Acetate; 2-(3,7-Dimethyl-2,6-Dioxo-1-Purinyl)Acetate; 2-(2,6-Diketo-3,7-Dimethyl-Purin-1-Yl)Acetate
• Molecular Formula: C₉H₉N₄O₄
• Molecular Weight: 237.19
• CAS Registry Number: 5614-56-2
• EINECS: 227-034-0
• SMILES: C1=NC2=C([N]1C)C(=O)N(C(=O)N2C)CC([O-])=O
• InChI: 1S/C9H10N4O4/c1-11-4-10-7-6(11)8(16)13(3-5(14)15)9(17)12(7)2/h4H,3H2,1-2H3,(H,14,15)/p-1
• InChIKey: YCTSCXLOPJCPDH-UHFFFAOYSA-M

Properties

• Boiling point: 562.872°C at 760 mmHg (Cal.)
• Flash point: 294.215°C (Cal.)