8-Benzyl-7-(2-((2-hydroxyethyl)amino)ethyl)theophylline
[CAS# 80296-66-8]

Identification

• Name: 8-Benzyl-7-(2-((2-hydroxyethyl)amino)ethyl)theophylline
• Synonyms: 8-(Benzyl)-7-[2-(2-Hydroxyethylamino)Ethyl]-1,3-Dimethyl-Xanthine; 1H-Purine-2,6-Dione, 3,7-Dihydro-7-(2-((2-Hydroxyethyl)Amino)Ethyl)-1,3-Dimethyl-8-(Phenylmethyl)-; Ac 85
• Molecular Formula: C₁₈H₂₃N₅O₃
• Molecular Weight: 357.41
• CAS Registry Number: 80296-66-8
• SMILES: C1=CC=CC=C1CC2=NC3=C([N]2CCNCCO)C(N(C(N3C)=O)C)=O
• InChI: 1S/C18H23N5O3/c1-21-16-15(17(25)22(2)18(21)26)23(10-8-19-9-11-24)14(20-16)12-13-6-4-3-5-7-13/h3-7,19,24H,8-12H2,1-2H3
• InChIKey: BZBIGFTZTTYEMF-UHFFFAOYSA-N

Properties

• Density: 1.33g/cm³ (Cal.)
• Boiling point: 628.312°C at 760 mmHg (Cal.)
• Flash point: 333.791°C (Cal.)