3,7-Dimethyl-1-Prop-2-Enylpurine-2,6-Dione
[CAS# 2530-99-6]

Identification

• Name: 3,7-Dimethyl-1-Prop-2-Enylpurine-2,6-Dione
• Synonyms: 1-Allyl-3,7-Dimethyl-Purine-2,6-Dione; 1-Allyl-3,7-Dimethylpurine-2,6-Dione; 1-Allyl-3,7-Dimethyl-Xanthine
• Molecular Formula: C₁₀H₁₂N₄O₂
• Molecular Weight: 220.23
• CAS Registry Number: 2530-99-6
• SMILES: C2=NC1=C(C(=O)N(C(N1C)=O)CC=C)[N]2C
• InChI: 1S/C10H12N4O2/c1-4-5-14-9(15)7-8(11-6-12(7)2)13(3)10(14)16/h4,6H,1,5H2,2-3H3
• InChIKey: BTFHIKZOEZREBX-UHFFFAOYSA-N

Properties

• Density: 1.33g/cm³ (Cal.)
• Boiling point: 431.769°C at 760 mmHg (Cal.)
• Flash point: 214.927°C (Cal.)