519-37-9
Product Name:
7-(2-HYDROXYETHYL)THEOPHYLLINE
Formula:
C9H12N4O3
Synonyms:
1,3-Dimethyl-7-(2-hydroxyethyl)xanthine;7-(β-Hydroxyethyl)theophylline
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CHEMICAL AND PHYSICAL PROPERTIES
| Solubility | >33.6 [ug/mL] (The mean of the results at pH 7.4) |
|---|---|
| Kovats Retention Index | 2090 |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H302:Acute toxicity,oral |
COMPUTED DESCRIPTORS
| Molecular Weight | 224.22 g/mol |
|---|---|
| XLogP3 | -1.2 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Exact Mass | 224.09094026 g/mol |
| Monoisotopic Mass | 224.09094026 g/mol |
| Topological Polar Surface Area | 78.7 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 322 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
7-(2-hydroxyethyl)-1,3-dimethylpurine-2,6-dione is an oxopurine.