7-(2,3-Dihydroxypropyl)-8-(2-Hydroxyethylamino)-1,3-Dimethylpurine-2,6-Dione
[CAS# 111038-27-8]

Identification

• Name: 7-(2,3-Dihydroxypropyl)-8-(2-Hydroxyethylamino)-1,3-Dimethylpurine-2,6-Dione
• Synonyms: 7-(2,3-Dihydroxypropyl)-8-(2-Hydroxyethylamino)-1,3-Dimethyl-Purine-2,6-Dione; 7-Glyceryl-8-(2-Hydroxyethylamino)-1,3-Dimethyl-Xanthine; 1H-Purine-2,6-Dione, 3,7-Dihydro-7-(2,3-Dihydroxypropyl)-1,3-Dimethyl-8-((2-Hydroxyethyl)Amino)-
• Molecular Formula: C₁₂H₁₉N₅O₅
• Molecular Weight: 313.31
• CAS Registry Number: 111038-27-8
• SMILES: C(NC1=NC2=C([N]1CC(CO)O)C(N(C(N2C)=O)C)=O)CO
• InChI: 1S/C12H19N5O5/c1-15-9-8(10(21)16(2)12(15)22)17(5-7(20)6-19)11(14-9)13-3-4-18/h7,18-20H,3-6H2,1-2H3,(H,13,14)
• InChIKey: JUIRIWGSBLYPRL-UHFFFAOYSA-N

Properties

• Density: 1.604g/cm³ (Cal.)
• Boiling point: 637.652°C at 760 mmHg (Cal.)
• Flash point: 339.44°C (Cal.)