1,3-Diethyl-7-Methyl-3,7-Dihydro-1H-Purine-2,6-Dione
[CAS# 54965-57-0]

Identification

• Name: 1,3-Diethyl-7-Methyl-3,7-Dihydro-1H-Purine-2,6-Dione
• Synonyms: 1,3-Diethyl-7-methylxanthine; 1,3-Diethyl-7-methyl-1H-purine-2,6(3H,7H)-dione; 1,3-Diethyl-7-methyl-3,7-dihydro-1H-purine-2,6-dione #
• Molecular Formula: C₁₀H₁₄N₄O₂
• Molecular Weight: 222.24
• CAS Registry Number: 54965-57-0
• SMILES: O=C2N(c1ncn(c1C(=O)N2CC)C)CC
• InChI: 1S/C10H14N4O2/c1-4-13-8-7(12(3)6-11-8)9(15)14(5-2)10(13)16/h6H,4-5H2,1-3H3
• InChIKey: WGMHUEQTUNLCNK-UHFFFAOYSA-N

Properties

• Density: 1.342g/cm³ (Cal.)
• Boiling point: 427.335°C at 760 mmHg (Cal.)
• Flash point: 212.245°C (Cal.)