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Methyl 2-((pyridin-3-ylcarbonyl)amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
AURORA 5056 · methyl 2-(nicotinamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate · METHYL 2-[(3-PYRIDINYLCARBONYL)AMINO]-5,6-DIHYDRO-4H-CYCLOPENTA[B]THIOPHENE-3-CARBOXYLATE · 4H-Cyclopenta[b]thiophene-3-carboxylic acid, 5,6-dihydro-2-[(3-pyridinylcarbonyl)amino]-, methyl ester
![Molekülstruktur von Methyl 2-((pyridin-3-ylcarbonyl)amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate](/img/chemical/718813.png)
Identifikatoren & physikalische Daten
| CAS No. | 302803-14-1 |
|---|---|
| Summenformel | C15H14N2O3S |
| Durchschnittliche Molmasse | 302,355 g/mol |
| Monoisotopische Masse | 302,07251331 g/mol |
| SMILES | COC(=O)c1c(NC(=O)c2cccnc2)sc2c1CCC2 |
| InChIKey | CCOXWSNNMMKBKA-UHFFFAOYSA-N |
| PubChem CID | 718813 |
| EC No. | 144-119-7 |
| DTXSID | DTXSID40972414 |
Chemische & physikalische Eigenschaften
| Siedepunkt | 425.6±45.0 °C(Predicted) |
|---|---|
| Dichte | 1.386±0.06 g/cm3(Predicted) |
| pKa (Säurekonstante) | 11.65±0.20(Predicted) |