HuagongsheHuagongshe Chemistry Print Report · For research reference only
Barbituric acid, 5-allyl-1,3-dimethyl-5-(1-methylbutyl)-
N,N-Dimethylquinalbarbitone · 5-Allyl-1,3-dimethyl-5-(1-methylbutyl)barbituric acid · 1,3-Dimethyl-5-(1-methylbutyl)-5-(2-propenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione
Identifiers & Physical Properties
| CAS No. | 28239-49-8 |
|---|---|
| Molecular formula | C14H22N2O3 |
| Average molar mass | 266.34 g/mol |
| Monoisotopic mass | 266.16304257 g/mol |
| SMILES | C=CCC1(C(C)CCC)C(=O)N(C)C(=O)N(C)C1=O |
| InChIKey | KKPCLTFASPTTIQ-UHFFFAOYSA-N |
| PubChem CID | 525966 |
| DTXSID | DTXSID50335556 |
Chemical & Physical Properties
| XLogP | 2.6 |
|---|---|
| Topological polar surface area | 57.7 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 5 |
| Heavy atoms | 19 |
| Formal charge | 0 |
| Complexity | 393 |