8-Ethyl-7-(2-Piperidinoethoxy)-Theophylline
[CAS# 19729-84-1]

Identification

• Name: 8-Ethyl-7-(2-Piperidinoethoxy)-Theophylline
• Synonyms: 8-Ethyl-1,3-Dimethyl-7-[2-(1-Piperidyl)Ethoxy]Purine-2,6-Dione; 8-Ethyl-1,3-Dimethyl-7-(2-Piperidinoethoxy)Xanthine; 7-(Beta-Piperidinoaethoxy)-8-Aethyltheophyllin [German]
• Molecular Formula: C₁₆H₂₅N₅O₃
• Molecular Weight: 335.41
• CAS Registry Number: 19729-84-1
• SMILES: C(O[N]1C(=NC2=C1C(N(C(N2C)=O)C)=O)CC)CN3CCCCC3
• InChI: 1S/C16H25N5O3/c1-4-12-17-14-13(15(22)19(3)16(23)18(14)2)21(12)24-11-10-20-8-6-5-7-9-20/h4-11H2,1-3H3
• InChIKey: JNEBFTUYNMCPCB-UHFFFAOYSA-N

Properties

• Density: 1.336g/cm³ (Cal.)
• Boiling point: 508.02°C at 760 mmHg (Cal.)
• Flash point: 261.041°C (Cal.)