7-[2-[[2-Hydroxy-2-(4-Hydroxyphenyl)Ethyl]Amino]Ethyl]-1,3-Dimethylpurine-2,6-Dione
[CAS# 73908-76-6]

Identification

• Name: 7-[2-[[2-Hydroxy-2-(4-Hydroxyphenyl)Ethyl]Amino]Ethyl]-1,3-Dimethylpurine-2,6-Dione
• Synonyms: 7-[2-[[2-Hydroxy-2-(4-Hydroxyphenyl)Ethyl]Amino]Ethyl]-1,3-Dimethyl-Purine-2,6-Dione; 7-[2-[[2-Hydroxy-2-(4-Hydroxyphenyl)Ethyl]Amino]Ethyl]-1,3-Dimethyl-Xanthine; 7-(2-((2-Hydroxy-2-(P-Hydroxyphenyl)Ethyl)Amino)Ethyl)Theophylline
• Molecular Formula: C₁₇H₂₁N₅O₄
• Molecular Weight: 359.38
• CAS Registry Number: 73908-76-6
• SMILES: C1=NC3=C([N]1CCNCC(C2=CC=C(C=C2)O)O)C(N(C(N3C)=O)C)=O
• InChI: 1S/C17H21N5O4/c1-20-15-14(16(25)21(2)17(20)26)22(10-19-15)8-7-18-9-13(24)11-3-5-12(23)6-4-11/h3-6,10,13,18,23-24H,7-9H2,1-2H3
• InChIKey: HQMLFJNSQUJCAE-UHFFFAOYSA-N

Properties

• Density: 1.438g/cm³ (Cal.)
• Boiling point: 668.136°C at 760 mmHg (Cal.)
• Flash point: 357.876°C (Cal.)