N-Hydroxyxanthine
[CAS# 64038-49-9]

Identification

• Name: N-Hydroxyxanthine
• Synonyms: 3-Hydroxy-7H-Purine-2,6-Quinone Hydrate; 1H-Purine-2,6-Dione, 3,7-Dihydro-3-Hydroxy-, Monohydrate; 3-Hydroxyxanthine Hydrate
• Molecular Formula: C₅H₆N₄O₄
• Molecular Weight: 186.13
• CAS Registry Number: 64038-49-9 (13479-29-3)
• SMILES: C1=NC2=C([NH]1)C(=O)NC(=O)N2O.O
• InChI: 1S/C5H4N4O3.H2O/c10-4-2-3(7-1-6-2)9(12)5(11)8-4;/h1,12H,(H,6,7)(H,8,10,11);1H2
• InChIKey: BGQLASDHWPLTDZ-UHFFFAOYSA-N

Properties

• Boiling point: 736.3°C at 760 mmHg (Cal.)
• Flash point: 399.1°C (Cal.)