HuagongsheHuagongshe Chemistry Print Report · For research reference only
cis-(1R,2S)-2-azaniumylcyclohexane-1-carboxylate
2-Amino-(1R,2S)-cyclohexanecarboxylic acid · 2-Amino-(1R-cis)-cyclohexanecarboxylic acid · Cyclohexanecarboxylic acid, 2-amino-, (1R,2S)- · Cyclohexanecarboxylic acid, 2-amino-, (1R,2S)- (9CI)
Identifiers & Physical Properties
| CAS No. | 189101-43-7 |
|---|---|
| Molecular formula | C7H13NO2 |
| Average molar mass | 143.18 g/mol |
| Monoisotopic mass | 143.09462866 g/mol |
| SMILES | [NH3+][C@H]1CCCC[C@H]1C(=O)[O-] |
| InChIKey | USQHEVWOPJDAAX-RITPCOANSA-N |
| PubChem CID | 7128320 |
Chemical & Physical Properties
| XLogP | -0.8 |
|---|---|
| Topological polar surface area | 67.8 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 2 |
| Rotatable bonds | 0 |
| Heavy atoms | 10 |
| Formal charge | 0 |
| Complexity | 130 |
| Melting point | 229-231℃ |
| Boiling point | 280.0±33.0 °C(Predicted) |
| Density | 1.133±0.06 g/cm3(Predicted) |
| pKa (acidity coefficient) | 3.58±0.44(Predicted) |