3,7-Dihydro-1-Methyl-3-Propyl-1H-Purine-2,6-Dione
[CAS# 118024-67-2]

Identification

• Name: 3,7-Dihydro-1-Methyl-3-Propyl-1H-Purine-2,6-Dione
• Synonyms: 1-Methyl-3-Propyl-7H-Purine-2,6-Quinone; 1H-Purine-2,6-Dione, 3,7-Dihydro-1-Methyl-3-Propyl-; Xanthine, 1-Methyl-3-Propyl-
• Molecular Formula: C₉H₁₂N₄O₂
• Molecular Weight: 208.22
• CAS Registry Number: 118024-67-2
• SMILES: C2=NC1=C(C(N(C(N1CCC)=O)C)=O)[NH]2
• InChI: 1S/C9H12N4O2/c1-3-4-13-7-6(10-5-11-7)8(14)12(2)9(13)15/h5H,3-4H2,1-2H3,(H,10,11)
• InChIKey: MCPROACZLSAAPY-UHFFFAOYSA-N

Properties

• Density: 1.326g/cm³ (Cal.)
• Boiling point: 450.732°C at 760 mmHg (Cal.)
• Flash point: 226.395°C (Cal.)