HuagongsheHuagongshe Chemistry Print Report · For research reference only
Methyl 2-tert-butylimidazo[1,2-a]pyridine-6-carboxylate
Methyl 2-tert-butylimidazo-[1,2-a]pyridine-6-carboxylate · Imidazo[1,2-a]pyridine-6-carboxylic acid, 2-(1,1-dimethylethyl)-, methyl ester
![Methyl 2-tert-butylimidazo[1,2-a]pyridine-6-carboxylate molecular structure](/img/chemical/178635529.png)
Identifiers & Physical Properties
| CAS No. | 1003577-82-9 |
|---|---|
| Molecular formula | C13H16N2O2 |
| Average molar mass | 232.28 g/mol |
| Monoisotopic mass | 232.12117776 g/mol |
| SMILES | COC(=O)c1ccc2nc(C(C)(C)C)cn2c1 |
| InChIKey | QVMQFTWQKYSLPK-UHFFFAOYSA-N |
| PubChem CID | 57963684 |
Chemical & Physical Properties
| XLogP | 3.3 |
|---|---|
| Topological polar surface area | 43.6 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 3 |
| Heavy atoms | 17 |
| Formal charge | 0 |
| Complexity | 298 |
| Density | 1.12±0.1 g/cm3(Predicted) |
| pKa (acidity coefficient) | 6.59±0.50(Predicted) |
| Customs code | 2918199890 |
Safety & Regulations
| Customs code | 2918199890 |
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