HuagongsheHuagongshe Chemistry Print Report · For research reference only
(2S,5S)-2,5-dimethylpiperazine
(2S,5S)-Dimethyl-piperazine · Piperazine, 2,5-dimethyl-, (2S,5S)-
Identifiers & Physical Properties
| CAS No. | 59573-44-3 |
|---|---|
| Molecular formula | C6H14N2 |
| Average molar mass | 114.19 g/mol |
| SMILES | C[C@H]1CN[C@@H](C)CN1 |
| InChIKey | NSMWYRLQHIXVAP-WDSKDSINSA-N |
| PubChem CID | 61380 |
Chemical & Physical Properties
| XLogP | 0 |
|---|---|
| Topological polar surface area | 24.1 |
| Hydrogen bond donors | 2 |
| Hydrogen bond acceptors | 2 |
| Rotatable bonds | 0 |
| Heavy atoms | 8 |
| Formal charge | 0 |
| Complexity | 62.9 |
| SpringerMaterials Properties | Boiling point |
| Boiling point | 160-161 °C |
| Density | 0.824±0.06 g/cm3(Predicted) |
| pKa (acidity coefficient) | 9.65±0.60(Predicted) |
| FDA UNII | GHG085AS6Y |