2,6-Diamino-7,9-dihydro-8H-purin-8-one sulfate hydrate (2:1:1)
[CAS# 698998-94-6]

Identification

• Name: 2,6-Diamino-7,9-dihydro-8H-purin-8-one sulfate hydrate (2:1:1)
• Synonyms: 2,6-Diamino-8-purinol hemisulfate monohydrate; 2,6-Diamino-8-purinol hemisulfate salt hydrate
• Molecular Formula: C₁₀H₁₆N₁₂O₇S
• Molecular Weight: 448.38
• CAS Registry Number: 698998-94-6
• SMILES: O=S(=O)(O)O.O=C2Nc1c(nc(nc1N2)N)N.O=C2Nc1c(nc(nc1N2)N)N.O
• InChI: 1S/2C5H6N6O.H2O4S.H2O/c2*6-2-1-3(10-4(7)9-2)11-5(12)8-1;1-5(2,3)4;/h2*(H6,6,7,8,9,10,11,12);(H2,1,2,3,4);1H2
• InChIKey: RYLHSHJARAETPO-UHFFFAOYSA-N

Properties

• Melting point: 300°C (Expl.)
• Boiling point: 821.8°C at 760 mmHg (Cal.)
• Flash point: 450.8°C (Cal.)
• Refractive index: (Cal.)