Purine

• CAS: 120-73-0
• Catalog Number: ACM120730
• Category: Other Products
• Molecular Weight: 120.11
• Molecular Formula: C5H4N4
• Synonyms: Imidazo(4,5-d)pyrimidine
• IUPAC Name: 7H-Purine
• Canonical SMILES: C1=C2C(=NC=N1)N=CN2
• InChI: InChI=1S/C5H4N4/c1-4-5(8-2-6-1)9-3-7-4/h1-3H,(H,6,7,8,9)
• InChI Key: KDCGOANMDULRCW-UHFFFAOYSA-N
• Boiling Point: 214.09 °C
• Melting Point: 214-217 °C(lit.)
• Flash Point: 225.4 °C
• Density: 1.3106 g/cm³
• Appearance: White crystals
• Storage: Keep in dark place, sealed in dry, room temperature
• Complexity: 105
• Exact Mass: 120.043596145
• Monoisotopic Mass: 120.043596145
• pKa: 2.3(at 20 °C)
• Refractive Index: 1.7380
• Topological Polar Surface Area: 54.5 Ų