8-(4-Carboxymethyloxy)Phenyl-1,3-Dipropylxanthine
[CAS# 96865-83-7]

Identification

• Name: 8-(4-Carboxymethyloxy)Phenyl-1,3-Dipropylxanthine
• Synonyms: 2-[4-(2,6-Diketo-1,3-Dipropyl-7H-Purin-8-Yl)Phenoxy]Acetic Acid; 2-[4-(2,6-Dioxo-1,3-Dipropyl-7H-Purin-8-Yl)Phenoxy]Ethanoic Acid; Xanthatin, 1,3-Dipropyl-8-[(4-Carboxymethoxy)Phenyl]-
• Molecular Formula: C₁₉H₂₂N₄O₅
• Molecular Weight: 386.41
• CAS Registry Number: 96865-83-7
• SMILES: C1=CC(=CC=C1C2=NC3=C([NH]2)C(N(CCC)C(=O)N3CCC)=O)OCC(O)=O
• InChI: 1S/C19H22N4O5/c1-3-9-22-17-15(18(26)23(10-4-2)19(22)27)20-16(21-17)12-5-7-13(8-6-12)28-11-14(24)25/h5-8H,3-4,9-11H2,1-2H3,(H,20,21)(H,24,25)
• InChIKey: QTMMGCYGCFXBFI-UHFFFAOYSA-N

Properties

• Density: 1.326g/cm³ (Cal.)
• Boiling point: 652.969°C at 760 mmHg (Cal.)
• Flash point: 348.703°C (Cal.)
• solubility: Soluble to 50 mM in DMSO