7-(beta-Hydroxypropoxy)theophylline
[CAS# 19729-83-0]

Identification

• Name: 7-(beta-Hydroxypropoxy)theophylline
• Synonyms: 7-(2-Hydroxypropoxy)-1,3-Dimethyl-Purine-2,6-Dione; 7-(2-Hydroxypropoxy)-1,3-Dimethyl-Xanthine; 7-(2-Hydroxypropoxy)Theophylline
• Molecular Formula: C₁₀H₁₄N₄O₄
• Molecular Weight: 254.25
• CAS Registry Number: 19729-83-0
• SMILES: C1=NC2=C([N]1OCC(C)O)C(N(C(N2C)=O)C)=O
• InChI: 1S/C10H14N4O4/c1-6(15)4-18-14-5-11-8-7(14)9(16)13(3)10(17)12(8)2/h5-6,15H,4H2,1-3H3
• InChIKey: FQDAAPOUQOEUCR-UHFFFAOYSA-N

Properties

• Density: 1.5g/cm³ (Cal.)
• Boiling point: 457.815°C at 760 mmHg (Cal.)
• Flash point: 230.678°C (Cal.)