5262-10-2
| Name | 5-BENZYL-3,6-DIOXO-2-PIPERAZINEACETIC ACID |
| CAS | 5262-10-2 |
| EINECS(EC#) | 226-075-1 |
| Molecular Formula | C13H14N2O4 |
| MDL Number | MFCD00211320 |
| Molecular Weight | 262.26 |
| MOL File | 5262-10-2.mol |
Chemical Properties
| Melting point | 270-272 °C(lit.) |
| Boiling point | 667.4±40.0 °C(Predicted) |
| density | 1.298±0.06 g/cm3(Predicted) |
| storage temp. | 2-8°C |
| solubility | Acetic Acid (Slightly, Heated, Sonicated), DMSO (Slightly) |
| form | neat |
| pka | 4.02±0.10(Predicted) |
| color | White to Off-White |
| Optical Rotation | [α]20/D 9.0°, c = 0.9 in acetic acid |
| Major Application | cleaning products cosmetics food and beverages personal care |
| InChI | InChI=1S/C13H14N2O4/c16-11(17)7-10-13(19)14-9(12(18)15-10)6-8-4-2-1-3-5-8/h1-5,9-10H,6-7H2,(H,14,19)(H,15,18)(H,16,17)/t9-,10-/m0/s1 |
| InChIKey | VNHJXYUDIBQDDX-UWVGGRQHSA-N |
| SMILES | N1C(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@@H]1CC(O)=O |
Safety Data
| Hazard Codes | Xi |
| Risk Statements | |
| Safety Statements | |
| WGK Germany | 3 |
| HS Code | 2933599550 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |