HuagongsheHuagongshe Chemistry Print Report · For research reference only
2-Bromo-6-(((3-bromo-5-tert-butyl-2-hydroxybenzyl)(cyclohexyl)amino)methyl)-4-tert-butylphenol
Phenol, 2,2'-[(cyclohexylimino)bis(methylene)]bis[6-bromo-4-(1,1-dimethylethyl)- · 2-bromo-6-[[(3-bromo-2-hydroxy-5-tert-butyl-phenyl)methyl-cyclohexyl-a mino]methyl]-4-tert-butyl-phenol
Identifiers & Physical Properties
| CAS No. | 6640-97-7 |
|---|---|
| Molecular formula | C28H39Br2NO2 |
| Average molar mass | 581.4 g/mol |
| Monoisotopic mass | 579.13475 g/mol |
| SMILES | CC(C)(C)c1cc(Br)c(O)c(CN(Cc2cc(C(C)(C)C)cc(Br)c2O)C2CCCCC2)c1 |
| InChIKey | NQIXBTDGJGXIGS-UHFFFAOYSA-N |
| PubChem CID | 241069 |
| ChEMBL | CHEMBL1331618 |
| DTXSID | DTXSID60286888 |
Chemical & Physical Properties
| XLogP | 9.1 |
|---|---|
| Topological polar surface area | 43.7 |
| Hydrogen bond donors | 2 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 7 |
| Heavy atoms | 33 |
| Formal charge | 0 |
| Complexity | 566 |
| Boiling point | 556.0±45.0 °C(Predicted) |
| Density | 1.39±0.1 g/cm3(Predicted) |
| pKa (acidity coefficient) | 8.23±0.48(Predicted) |