1,7-Diethyl-2,3,6,7-Tetrahydro-3-Methyl-1H-Purine-2,6-Dione
[CAS# 54889-96-2]

Identification

• Name: 1,7-Diethyl-2,3,6,7-Tetrahydro-3-Methyl-1H-Purine-2,6-Dione
• Synonyms: 1,7-Diethyl-3-Methyl-Purine-2,6-Dione; 1,7-Diethyl-3-Methyl-Xanthine; 1H-Purine-2,6-Dione, 1,7-Diethyl-2,3,6,7-Tetrahydro-3-Methyl-
• Molecular Formula: C₁₀H₁₄N₄O₂
• Molecular Weight: 222.25
• CAS Registry Number: 54889-96-2
• SMILES: C1=NC2=C([N]1CC)C(N(C(N2C)=O)CC)=O
• InChI: 1S/C10H14N4O2/c1-4-13-6-11-8-7(13)9(15)14(5-2)10(16)12(8)3/h6H,4-5H2,1-3H3
• InChIKey: PUHCQHGITXYVPE-UHFFFAOYSA-N

Properties

• Density: 1.342g/cm³ (Cal.)
• Boiling point: 425.093°C at 760 mmHg (Cal.)
• Flash point: 210.889°C (Cal.)