HuagongsheHuagongshe Chemistry Print Report · For research reference only
3-Isopropyl-5,7-dimorpholinomethyltropolone
5,7-Bis(morpholinomethyl)-2-hydroxy-3-isopropyl-2,4,6-cycloheptatrien-1-one · 2-Hydroxy-3-isopropyl-5,7-bis(morpholinomethyl)-2,4,6-cycloheptatriene-1-one · 2,4,6-Cycloheptatrien-1-one, 2-hydroxy-3-(1-methylethyl)-5,7-bis(4-morpholinylmethyl)-
Identifiers & Physical Properties
| CAS No. | 34723-12-1 |
|---|---|
| Molecular formula | C20H30N2O4 |
| Average molar mass | 362.5 g/mol |
| Monoisotopic mass | 362.22055744 g/mol |
| SMILES | CC(C)c1cc(CN2CCOCC2)cc(CN2CCOCC2)c(O)c1=O |
| InChIKey | SCLKVZOWUNRDIX-UHFFFAOYSA-N |
| PubChem CID | 36901 |
| DTXSID | DTXSID20188278 |
Chemical & Physical Properties
| XLogP | 0.6 |
|---|---|
| Topological polar surface area | 62.2 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 6 |
| Rotatable bonds | 5 |
| Heavy atoms | 26 |
| Formal charge | 0 |
| Complexity | 609 |