8-Cyclopropyl-1,3-Dimethyl-7H-Purine-2,6-Dione
[CAS# 35873-47-3]

Identification

• Name: 8-Cyclopropyl-1,3-Dimethyl-7H-Purine-2,6-Dione
• Synonyms: 8-Cyclopropyl-1,3-Dimethyl-7H-Purine-2,6-Quinone; 1H-Purine-2,6-Dione, 8-Cyclopropyl-3,7-Dihydro-1,3-Dimethyl-; 8-Cyclopropyltheophylline
• Molecular Formula: C₁₀H₁₂N₄O₂
• Molecular Weight: 220.23
• CAS Registry Number: 35873-47-3
• SMILES: CN1C2=C(C(N(C1=O)C)=O)[NH]C(=N2)C3CC3
• InChI: 1S/C10H12N4O2/c1-13-8-6(9(15)14(2)10(13)16)11-7(12-8)5-3-4-5/h5H,3-4H2,1-2H3,(H,11,12)
• InChIKey: SZMWFUBOZRDQPO-UHFFFAOYSA-N

Properties

• Density: 1.459g/cm³ (Cal.)
• Boiling point: 506.794°C at 760 mmHg (Cal.)
• Flash point: 260.3°C (Cal.)