HuagongsheHuagongshe Chemistry Print Report · For research reference only
1,4,5,6,7,8-Hexahydro-2,4,7,7-tetramethyl-5-oxo-3-quinolinecarbonitrile
2,4,7,7-tetramethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile · 3-Quinolinecarbonitrile, 1,4,5,6,7,8-hexahydro-2,4,7,7-tetramethyl-5-oxo-

Identifiers & Physical Properties
| CAS No. | 19732-58-2 |
|---|---|
| Molecular formula | C14H18N2O |
| Average molar mass | 230.311 g/mol |
| Monoisotopic mass | 230.1419132 g/mol |
| SMILES | CC1=C(C#N)C(C)C2=C(CC(C)(C)CC2=O)N1 |
| InChIKey | RDMDDPNHSPUVQK-UHFFFAOYSA-N |
| PubChem CID | 2829708 |
| ChEMBL | CHEMBL1373478 |
| EC No. | 131-989-8 |
| DTXSID | DTXSID101152631 |
Chemical & Physical Properties
| Melting point | 198-200 °C |
|---|---|
| Boiling point | 371.6±42.0 °C(Predicted) |
| Density | 1.10±0.1 g/cm3(Predicted) |
| pKa (acidity coefficient) | 0.77±0.70(Predicted) |