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Catalog Number | CI-OT-0001 |
Product Name | Theophylline |
CAS | 58-55-9 |
Structure | |
Synonyms | 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl- |
IUPAC Name | 1,3-dimethyl-7H-purine-2,6-dione |
Molecular Weight | 180.16 g/mol |
Molecular Formula | C7H8N4O2 |
InChI | InChI=1S/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9) |
InChI Key | ZFXYFBGIUFBOJW-UHFFFAOYSA-N |
Boiling Point | 313 °C |
Melting Point | 271-273 °C |
Purity | 95% |
Density | 1.36 g/mL |
Appearance | Solid |
Highest Usage In Residency Products | 0.03 |
Isomeric SMILES | CN1C2=C(C(=O)N(C1=O)C)NC=N2 |