3,7-Dimethyl-1-(2-Methylallyl)-1H-Purine-2,6(3H,7H)-Dione
[CAS# 63906-62-7]

Identification

• Name: 3,7-Dimethyl-1-(2-Methylallyl)-1H-Purine-2,6(3H,7H)-Dione
• Synonyms: 3,7-Dimethyl-1-(2-Methylprop-2-Enyl)Xanthine; 1H-Purine-2,6-Dione, 3,7-Dihydro-3, 7-Dimethyl-1-(2-Methyl-2-Propenyl)-; 3,7-Dimethyl-1-(2-Methyl-2-Propenyl)-3,7-Dihydro-1H-Purine-2,6-Dione
• Molecular Formula: C₁₁H₁₄N₄O₂
• Molecular Weight: 234.26
• CAS Registry Number: 63906-62-7
• SMILES: C2=NC1=C(C(N(C(N1C)=O)CC(=C)C)=O)[N]2C
• InChI: 1S/C11H14N4O2/c1-7(2)5-15-10(16)8-9(12-6-13(8)3)14(4)11(15)17/h6H,1,5H2,2-4H3
• InChIKey: DMWQAGFXWKNDBE-UHFFFAOYSA-N

Properties

• Density: 1.295g/cm³ (Cal.)
• Boiling point: 437.928°C at 760 mmHg (Cal.)
• Flash point: 218.651°C (Cal.)