1,3-Dimethyl-3,9-dihydro-1H-purine-2,6-dione--2-aminoethan-1-ol (1/2)
bis(2-aminoethanol);1,3-dimethyl-7H-purine-2,6-dione
Also Known As: Adisne|KST-1B6228|Theophylline, compd. with 2-aminoethanol (1:2)|2-aminoethanol; 1,3-dimethyl-7H-purine-2,6-dione|Ethanol, 2-amino-, compd. with theophylline (2:1)|1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione- 2-aminoethanol(1:2)|1,3-Dimethyl-3,9-dihydro-1H-purine-2,6-dione--2-aminoethan-1-ol (1/2)|1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-, compd. with 2-aminoethanol (1:2)|Ethanol, 2-amino-, compd. with 3,7-dihydro-1,3-dimethyl-1H-purinedione (2:1)
| Molecular Formula | C11H22N6O4 |
|---|---|
| Molecular Weight | 302.17026 g/mol |
| LogP | -3.16 |
| Topological Polar Surface Area | 165.18 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 2 |
| Exact Mass | 302.17026 |
| Heavy Atoms | 21 |
| Complexity | 636.2 |
Chemical Identifiers
| CAS Number | 5967-82-8 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)NC=N2.C(CO)N.C(CO)N |
Product Overview
1,3-Dimethyl-3,9-dihydro-1H-purine-2,6-dione--2-aminoethan-1-ol (1/2) (CAS 5967-82-8), with molecular formula C11H22N6O4 and molecular weight 302.17026 g/mol. IUPAC: bis(2-aminoethanol);1,3-dimethyl-7H-purine-2,6-dione.
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