Theophylline, 8-(2-hydroxyethylamino)-
8-(2-hydroxyethylamino)-1,3-dimethyl-7H-purine-2,6-dione
Also Known As: 8- theophyline|Theophylline, 8-(2-hydroxyethylamino)-|Oprea1_710676|8-(2-Hydroxyethylamino)theophyline|8-(2-Hydroxyethyl)aminotheophylline|8-[(2-Hydroxyethyl)amino]theophylline|8-(2-hydroxyethylamino)-1,3-dimethyl-7H-purine-2,6-dione|VU0630753-1|4-26-00-03981 (Beilstein Handbook Reference)|8-[(2-hydroxyethyl)amino]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione|F5032-0042|8-((2-hydroxyethyl)amino)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione|8-((2-Hydroxyethyl)amino)-1,3-dimethyl-3,9-dihydro-1H-purine-2,6-dione|3,7-Dihydro-1,3-dimethyl-8-[(2-hydroxyethyl)amino]-1H-purine-2,6-dione|8-[(2-hydroxyethyl)amino]-1,3-dimethyl-1,3,7-trihydropurine-2,6-dione|8-[(2-Hydroxyethyl)amino]-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione|8-[(2-hydroxyethyl)amino]-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
| Molecular Formula | C9H13N5O3 |
|---|---|
| Molecular Weight | 239.10184 g/mol |
| LogP | -0.4 |
| Topological Polar Surface Area | 102.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 239.10184 |
| Monoisotopic Mass | 239.10184 |
| Heavy Atoms | 17 |
| Complexity | 337.0 |
Chemical Identifiers
| CAS Number | 7654-01-5 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)NC(=N2)NCCO |
| InChIKey | MPFKMHMADVNVJA-UHFFFAOYSA-N |
Product Overview
Theophylline, 8-(2-hydroxyethylamino)- (CAS 7654-01-5), with molecular formula C9H13N5O3 and molecular weight 239.10184 g/mol. IUPAC: 8-(2-hydroxyethylamino)-1,3-dimethyl-7H-purine-2,6-dione.