(S)-(+)-N-(3,5-Dinitrobenzoyl)-alpha-phenylethylamine
- Product Name(S)-(+)-N-(3,5-Dinitrobenzoyl)-alpha-phenylethylamine
- CAS69632-31-1
- MFC15H13N3O5
- MW315.28
- EINECS
- MOL File69632-31-1.mol
Chemical Properties
| Melting point | 158-161 °C(lit.) |
| Boiling point | 482.881±45.00 °C(Press: 760.00 Torr)(predicted) |
| Density | 1.43 g/cm³ |
| pka | 12.269±0.46(predicted) |
| optical activity | [α]20/D +46.2°, c = 0.9 in acetone |
| BRN | 3627249 |
| InChI | 1S/C15H13N3O5/c1-10(11-5-3-2-4-6-11)16-15(19)12-7-13(17(20)21)9-14(8-12)18(22)23/h2-10H,1H3,(H,16,19)/t10-/m0/s1 |
| InChIKey | ABEVDCGKLRIYRW-JTQLQIEISA-N |
| SMILES | C[C@H](NC(=O)c1cc(cc(c1)[N+]([O-])=O)[N+]([O-])=O)c2ccccc2 |
| CAS DataBase Reference | 69632-31-1 |
Safety Information
| Hazard Codes | Xi |
| Risk Statements | 36/37/38 |
| Safety Statements | 26-36 |
| WGK Germany | 3 |
| Storage Class | 13 - Non Combustible Solids |