HuagongsheHuagongshe Chemistry Print Report · For research reference only
5-[5-[(5-Oxofuran-2-ylidene)amino]pentylimino]furan-2-one
N,N'-Bis[(5Z)-2,5-dihydro-2-oxofuran-5-ylidene]-1,5-pentanediamine
![5-[5-[(5-Oxofuran-2-ylidene)amino]pentylimino]furan-2-one molecular structure](/img/chemical/558708.png)
Identifiers & Physical Properties
| CAS No. | 28537-77-1 |
|---|---|
| Molecular formula | C13H14N2O4 |
| Average molar mass | 262.26 g/mol |
| Monoisotopic mass | 262.09535693 g/mol |
| SMILES | O=C1C=CC(=NCCCCCN=C2C=CC(=O)O2)O1 |
| InChIKey | OCDXBXTUSDXPMD-UHFFFAOYSA-N |
| PubChem CID | 558708 |
| DTXSID | DTXSID00339786 |
Chemical & Physical Properties
| XLogP | 0.8 |
|---|---|
| Topological polar surface area | 77.3 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 6 |
| Rotatable bonds | 6 |
| Heavy atoms | 19 |
| Formal charge | 0 |
| Complexity | 445 |
| Boiling point | 404.262±55.00 °C(Press: 760.00 Torr)(predicted) |
| Density | 1.299±0.14 g/cm3(Temp: 25 °CPress: 760 Torr)(predicted) |
| pKa (acidity coefficient) | 2.922±0.20(predicted) |