(S)-3-Amino-hexahydro-2-azepinone
- Product Name(S)-3-Amino-hexahydro-2-azepinone
- CAS21568-87-6
- CBNumberCB0740500
- MFC6H12N2O
- MW128.17
- MDL NumberMFCD00064476
- MOL File21568-87-6.mol
- MSDS FileSDS
Chemical Properties
| Melting point | 97-101 °C |
| Boiling point | 315.1±35.0 °C(Predicted) |
| Density | 1.031±0.06 g/cm3(Predicted) |
| storage temp. | −20°C |
| solubility | Aqueous Acid (Slightly), DMSO (Slightly), Methanol (Slightly) |
| pka | 16.06±0.40(Predicted) |
| form | Yellow Thick Oil to Semi-Solid |
| Appearance | Light yellow to yellow Solid |
| optical activity | Consistent with structure |
| InChI | InChI=1S/C6H12N2O/c7-5-3-1-2-4-8-6(5)9/h5H,1-4,7H2,(H,8,9)/t5-/m0/s1 |
| InChIKey | BOWUOGIPSRVRSJ-YFKPBYRVSA-N |
| SMILES | N1CCCC[C@H](N)C1=O |
| CAS DataBase Reference | 21568-87-6(CAS DataBase Reference) |
Safety
| Symbol(GHS) |
|
| Signal word | Warning |
| Hazard statements | H302-H315-H320-H335 |
| Precautionary statements | P261-P280-P301+P312-P302+P352-P305+P351+P338 |
| Hazard Codes | Xi |
| Risk Statements | 36/37/38 |
| Safety Statements | 26-36 |
| HS Code | 2933998090 |
