2-Amino-6H-Purin-6-One 3-Oxide
[CAS# 18905-29-8]

Identification

• Name: 2-Amino-6H-Purin-6-One 3-Oxide
• Synonyms: Guanine, 3-Oxide (8Ci); Guanine-3-N-Oxide; Nsc 145425
• Molecular Formula: C₅H₅N₅O₂
• Molecular Weight: 167.13
• CAS Registry Number: 18905-29-8
• EINECS: 242-653-6
• SMILES: C1=NC2=C([NH]1)C(N=C(N2O)N)=O
• InChI: 1S/C5H5N5O2/c6-5-9-4(11)2-3(10(5)12)8-1-7-2/h1,12H,(H,7,8)(H2,6,9,11)
• InChIKey: GUFNQGMGUWTPCE-UHFFFAOYSA-N

Properties

• Density: 2.313g/cm³ (Cal.)
• Boiling point: 682.296°C at 760 mmHg (Cal.)
• Flash point: 366.44°C (Cal.)