7-Benzyl-3-(2-Methylpropyl)Xanthine
[CAS# 63908-36-1]

Identification

• Name: 7-Benzyl-3-(2-Methylpropyl)Xanthine
• Synonyms: 3-Isobutyl-7-(Phenylmethyl)Purine-2,6-Dione; 7-(Benzyl)-3-Isobutyl-Xanthine; 1H-Purine-2,6-Dione, 3,7-Dihydro-3-(2-Methylpropyl)-1-(Phenylmethyl)-
• Molecular Formula: C₁₆H₁₈N₄O₂
• Molecular Weight: 298.34
• CAS Registry Number: 63908-36-1
• SMILES: C1=NC3=C([N]1CC2=CC=CC=C2)C(=O)NC(=O)N3CC(C)C
• InChI: 1S/C16H18N4O2/c1-11(2)8-20-14-13(15(21)18-16(20)22)19(10-17-14)9-12-6-4-3-5-7-12/h3-7,10-11H,8-9H2,1-2H3,(H,18,21,22)
• InChIKey: XDAUWUWDCMOPGL-UHFFFAOYSA-N

Properties

• Density: 1.306g/cm³ (Cal.)