HuagongsheHuagongshe Chemistry Print Report · For research reference only
1-Naphthaleneacetonitrile, alpha-sec-butyl-alpha-(2-morpholinoethyl)-
4-Morpholinebutanenitrile, α-(1-methylpropyl)-α-1-naphthalenyl- · α-(1-Methylpropyl)-α-(2-morpholinoethyl)-1-naphthaleneacetonitrile
Identifiers & Physical Properties
| CAS No. | 1241-65-2 |
|---|---|
| Molecular formula | C22H28N2O |
| Average molar mass | 336.5 g/mol |
| Monoisotopic mass | 336.22016352 g/mol |
| SMILES | CCC(C)C(C#N)(CCN1CCOCC1)c1cccc2ccccc12 |
| InChIKey | VNUYADCWVCUHBG-UHFFFAOYSA-N |
| PubChem CID | 14713 |
| DTXSID | DTXSID20924734 |
Chemical & Physical Properties
| XLogP | 4.6 |
|---|---|
| Topological polar surface area | 36.3 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 6 |
| Heavy atoms | 25 |
| Formal charge | 0 |
| Complexity | 464 |
| Boiling point | 510.3±50.0 °C(Predicted) |
| Density | 1.069±0.06 g/cm3(Predicted) |
| pKa (acidity coefficient) | 6.61±0.10(Predicted) |