HuagongsheHuagongshe Chemistry Print Report · For research reference only
2,4,6-trimethoxyphenyl-N-t-butyl nitrone
N-tert-Butyl-α-(2,4,6-trimethoxyphenyl)nitrone · N-tert-butyl-alpha-(2,4,6-trimethoxy-phenyl)nitro · N-TERT-BUTYL-ALPHA-(2,4,6-TRIMETHOXY-PHENYL)NITRONE, 99 · N-TERT-BUTYL-ALPHA-(2,4,6-TRIMETHOXY-PHENYL)NITRONE, 99% · 2-Propanamine, 2-methyl-N-[(2,4,6-trimethoxyphenyl)methylene]-, N-oxide (9CI)
Identifiers & Physical Properties
| CAS No. | 57833-64-4 |
|---|---|
| Molecular formula | C14H21NO4 |
| Average molar mass | 267.32 g/mol |
| Monoisotopic mass | 267.14705815 g/mol |
| SMILES | COc1cc(OC)c(C=[N+]([O-])C(C)(C)C)c(OC)c1 |
| InChIKey | PHKZCVKPGLECTC-UHFFFAOYSA-N |
| PubChem CID | 4046820 |
| DTXSID | DTXSID10877629 |
Chemical & Physical Properties
| XLogP | 1.8 |
|---|---|
| Topological polar surface area | 56.4 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 4 |
| Rotatable bonds | 5 |
| Heavy atoms | 19 |
| Formal charge | 0 |
| Complexity | 297 |
| Melting point | 98-100 °C(lit.) |