58094-18-1
| Name | (+)-N-BENZOYLGLUTAMIC ACID |
| CAS | 58094-18-1 |
| Molecular Formula | C12H13NO5 |
| MDL Number | MFCD00137636 |
| Molecular Weight | 251.24 |
| MOL File | 58094-18-1.mol |
Chemical Properties
| Melting point | 130-135 °C (lit.) |
| Boiling point | 562.0±40.0 °C(Predicted) |
| density | 1.354±0.06 g/cm3(Predicted) |
| pka | 3.61±0.10(Predicted) |
| Optical Rotation | [α]22/D +12°, c = 5 in H2O |
| Major Application | peptide synthesis |
| InChI | 1S/C12H13NO5/c14-10(15)7-6-9(12(17)18)13-11(16)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,13,16)(H,14,15)(H,17,18)/t9-/m1/s1 |
| InChIKey | LPJXPACOXRZCCP-SECBINFHSA-N |
| SMILES | OC(=O)CC[C@@H](NC(=O)c1ccccc1)C(O)=O |
Safety Data
| Symbol(GHS) |  GHS07 |
| Signal word | Warning |
| Hazard statements | H315-H319-H335 |
| Precautionary statements | P261-P264-P271-P280-P302+P352-P305+P351+P338 |
| Hazard Codes | Xi |
| Risk Statements | |
| Safety Statements | |
| WGK Germany | 3 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |