7-(2,3-Dihydroxypropyl)-1,3-Dimethyl-8-(Phenylmethylamino)Purine-2,6-Dione
[CAS# 78740-20-2]

Identification

• Name: 7-(2,3-Dihydroxypropyl)-1,3-Dimethyl-8-(Phenylmethylamino)Purine-2,6-Dione
• Synonyms: 8-(Benzylamino)-7-Glyceryl-1,3-Dimethyl-Xanthine; 1H-Purine-2,6-Dione, 3,7-Dihydro-7-(2,3-Dihydroxypropyl)-1,3-Dimethyl-8-((Phenylmethyl)Amino)-; Oprea1_174502
• Molecular Formula: C₁₇H₂₁N₅O₄
• Molecular Weight: 359.38
• CAS Registry Number: 78740-20-2
• SMILES: C3=C(CNC1=NC2=C([N]1CC(O)CO)C(=O)N(C(=O)N2C)C)C=CC=C3
• InChI: 1S/C17H21N5O4/c1-20-14-13(15(25)21(2)17(20)26)22(9-12(24)10-23)16(19-14)18-8-11-6-4-3-5-7-11/h3-7,12,23-24H,8-10H2,1-2H3,(H,18,19)
• InChIKey: QKNAVASCRUCJEC-UHFFFAOYSA-N

Properties

• Density: 1.438g/cm³ (Cal.)
• Boiling point: 650.779°C at 760 mmHg (Cal.)
• Flash point: 347.379°C (Cal.)