1-Allyl-3-Butylbutylxanthine
[CAS# 81250-15-9]

Identification

• Name: 1-Allyl-3-Butylbutylxanthine
• Synonyms: 1-Allyl-3-Butyl-7H-Purine-2,6-Dione; 1-Allyl-3-Butyl-7H-Purine-2,6-Quinone; 3,7-Dihydro-3-Butyl-1-(2-Propenyl)-1H-Purine-2,6-Dione
• Molecular Formula: C₁₂H₁₆N₄O₂
• Molecular Weight: 248.28
• CAS Registry Number: 81250-15-9
• SMILES: C1=NC2=C([NH]1)C(N(C(N2CCCC)=O)CC=C)=O
• InChI: 1S/C12H16N4O2/c1-3-5-7-15-10-9(13-8-14-10)11(17)16(6-4-2)12(15)18/h4,8H,2-3,5-7H2,1H3,(H,13,14)
• InChIKey: GIUPXMWAXSMOAM-UHFFFAOYSA-N

Properties

• Density: 1.225g/cm³ (Cal.)
• Boiling point: 470.684°C at 760 mmHg (Cal.)
• Flash point: 238.461°C (Cal.)