1-(3-Hydroxypropyl)-3,7-Dimethyl-1H-Purine-2,6(3H,7H)-Dione
[CAS# 59413-14-8]

Identification

• Name: 1-(3-Hydroxypropyl)-3,7-Dimethyl-1H-Purine-2,6(3H,7H)-Dione
• Synonyms: 1-(3-Hydroxypropyl)-3,7-Dimethyl-Purine-2,6-Dione; 1-(3-Hydroxypropyl)-3,7-Dimethyl-Xanthine; 1-(3-Hydroxypropyl)-3,7-Dimethylxanthine
• Molecular Formula: C₁₀H₁₄N₄O₃
• Molecular Weight: 238.25
• CAS Registry Number: 59413-14-8
• SMILES: C1=NC2=C([N]1C)C(N(C(N2C)=O)CCCO)=O
• InChI: 1S/C10H14N4O3/c1-12-6-11-8-7(12)9(16)14(4-3-5-15)10(17)13(8)2/h6,15H,3-5H2,1-2H3
• InChIKey: GHGVDQNEKGZLPE-UHFFFAOYSA-N

Properties

• Density: 1.454g/cm³ (Cal.)
• Boiling point: 513.804°C at 760 mmHg (Cal.)
• Flash point: 264.539°C (Cal.)