55102-13-1
| Name | 3-carboxymethyl-6-benzyl-2,5-diketopiperazine |
| CAS | 55102-13-1 |
| Molecular Formula | C13H14N2O4 |
| MDL Number | MFCD00211320 |
| Molecular Weight | 262.26 |
| MOL File | 55102-13-1.mol |
Chemical Properties
| Melting point | 270-272°C (lit.) |
| Major Application | pharmaceutical (small molecule) |
| 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 | OC(=O)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC1=O |
Safety Data
| Symbol(GHS) |  GHS07 |
| Signal word | Warning |
| Hazard statements | H315-H319-H335 |
| Precautionary statements | P305+P351+P338 |
| WGK Germany | WGK 3 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |