HuagongsheHuagongshe Chemistry Print Report · For research reference only
(S)-quinuclidin-3-amine
(3S)-Aminoquinuclidine · (S)-quinuclidin-3-aMine · Palonosetron Impurity 34 · (3S)-quinuclidin-3-amine · Palonosetron Impurity 36 · (S)-3-Amino-1-azabicyclo[2.2.2]octane · (3S)-1-azabicyclo[2.2.2]octan-3-amine · (S)-1-Aza-bicyclo[2.2.2]oct-3-ylamine
Identifiers & Physical Properties
| CAS No. | 120570-05-0 |
|---|---|
| Molecular formula | C7H14N2 |
| Average molar mass | 126.2 g/mol |
| SMILES | N[C@@H]1CN2CCC1CC2 |
| InChIKey | REUAXQZIRFXQML-SSDOTTSWSA-N |
Chemical & Physical Properties
| XLogP | -0.1 |
|---|---|
| Topological polar surface area | 29.3 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 2 |
| Rotatable bonds | 0 |
| Heavy atoms | 9 |
| Formal charge | 0 |
| Complexity | 105 |
| Boiling point | 165.9±8.0 °C(Predicted) |
| Density | 1.06±0.1 g/cm3(Predicted) |
| Storage conditions | 2-8°C(protect from light) |
| pKa (acidity coefficient) | 10.58±0.33(Predicted) |
| Appearance | White to off-white Solid |
| GHS pictogram | GHS05 |
| Signal word | Danger |
| GHS hazard statements | H314 |
| GHS precautionary statements | P280-P305+P351+P338-P310 |
Safety & Regulations
| Signal word | Danger |
|---|---|
| GHS pictogram | GHS05 |
| GHS hazard statements | H314 |
| GHS precautionary statements | P280-P305+P351+P338-P310 |
Applications & Uses
Uses
(3S)-Aminoquinuclidine is an intermediate used in the synthesis of Palonosetron-3-ene Hydrochloride (P165825), which is an impurity of Palonosetron (P165800), a serotonin 5-HT3 receptor antagonist used in the prevention and treatment of chemotherapy-induced nausea and vomiting (CINV). Antiemetic.