8-Hexyl-3,7-Dihydro-1,3-Dimethyl-1H-Purine-2,6-Dione
[CAS# 5429-37-8]

Identification

• Name: 8-Hexyl-3,7-Dihydro-1,3-Dimethyl-1H-Purine-2,6-Dione
• Synonyms: 8-Hexyl-1,3-Dimethyl-7H-Purine-2,6-Quinone; Zinc01596688; 1H-Purine-2,6-Dione, 8-Hexyl-3,7-Dihydro-1,3-Dimethyl- (9Ci)
• Molecular Formula: C₁₃H₂₀N₄O₂
• Molecular Weight: 264.33
• CAS Registry Number: 5429-37-8
• SMILES: C(C2=NC1=C(C(N(C(N1C)=O)C)=O)[NH]2)CCCCC
• InChI: 1S/C13H20N4O2/c1-4-5-6-7-8-9-14-10-11(15-9)16(2)13(19)17(3)12(10)18/h4-8H2,1-3H3,(H,14,15)
• InChIKey: SHZWWHZISZGGHB-UHFFFAOYSA-N

Properties

• Density: 1.192g/cm³ (Cal.)
• Boiling point: 482.184°C at 760 mmHg (Cal.)
• Flash point: 245.416°C (Cal.)