HuagongsheHuagongshe Chemistry Print Report · For research reference only
o-tert-Butylphenyl methylcarbamate
o-tert-butylphenyl methylcarbamate · Phenol, 2-(1,1-dimethylethyl)-, 1-(N-methylcarbamate) · Methylcarbamic acid 2-(1,1-dimethylethyl)phenyl ester
Identifiers & Physical Properties
| CAS No. | 2626-81-5 |
|---|---|
| Molecular formula | C12H17NO2 |
| Average molar mass | 207.27 g/mol |
| Monoisotopic mass | 207.12592879 g/mol |
| SMILES | CNC(=O)Oc1ccccc1C(C)(C)C |
| InChIKey | MCJHCFNLHXLNJW-UHFFFAOYSA-N |
| PubChem CID | 75813 |
| EC No. | 220-092-8 |
| DTXSID | DTXSID80180894 |
Chemical & Physical Properties
| XLogP | 2.6 |
|---|---|
| Topological polar surface area | 38.3 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 2 |
| Rotatable bonds | 3 |
| Heavy atoms | 15 |
| Formal charge | 0 |
| Complexity | 220 |
| LogP (partition coefficient) | 2.65 |
| FDA UNII | W7YQ772CEX |