7-(2,3-Dihydroxypropyl)-8-(Ethyl-(Phenylmethyl)Amino)-1,3-Dimethylpurine-2,6-Dione
[CAS# 78720-96-4]

Identification

• Name: 7-(2,3-Dihydroxypropyl)-8-(Ethyl-(Phenylmethyl)Amino)-1,3-Dimethylpurine-2,6-Dione
• Synonyms: 7-(2,3-Dihydroxypropyl)-8-(Ethyl-(Phenylmethyl)Amino)-1,3-Dimethyl-Purine-2,6-Dione; 8-(Benzyl-Ethyl-Amino)-7-Glyceryl-1,3-Dimethyl-Xanthine; 1H-Purine-2,6-Dione, 3,7-Dihydro-7-(2,3-Dihydroxypropyl)-1,3-Dimethyl-8-(Ethyl(Phenylmethyl)Amino)-
• Molecular Formula: C₁₉H₂₅N₅O₄
• Molecular Weight: 387.44
• CAS Registry Number: 78720-96-4
• SMILES: C1=CC=CC=C1CN(C2=NC3=C([N]2CC(CO)O)C(N(C(N3C)=O)C)=O)CC
• InChI: 1S/C19H25N5O4/c1-4-23(10-13-8-6-5-7-9-13)18-20-16-15(24(18)11-14(26)12-25)17(27)22(3)19(28)21(16)2/h5-9,14,25-26H,4,10-12H2,1-3H3
• InChIKey: DCUFNKYDJMUSQN-UHFFFAOYSA-N

Properties

• Density: 1.349g/cm³ (Cal.)
• Boiling point: 641.129°C at 760 mmHg (Cal.)
• Flash point: 341.543°C (Cal.)