
26774-89-0
| Name | (R)-(+)-alpha-[(3-Methoxy-1-methyl-3-oxo-1-propenyl)amino]-1,4-cyclohexadiene-1-acetic acid sodium salt |
| CAS | 26774-89-0 |
| EINECS(EC#) | 248-000-1 |
| Molecular Formula | C13H18NNaO4 |
| MDL Number | MFCD00196811 |
| Molecular Weight | 275.28 |
| MOL File | 26774-89-0.mol |
Chemical Properties
| Melting point | 240 °C (dec.)(lit.) |
| alpha | 83 º (c=1, H2O) |
| Optical Rotation | [α]20/D +83°, c = 1 in H2O |
| InChI | InChI=1/C13H17NO4.Na.H/c1-9(8-11(15)18-2)14-12(13(16)17)10-6-4-3-5-7-10;;/h3-4,7-8,12,14H,5-6H2,1-2H3,(H,16,17);;/t12-;;/s3 |
| InChIKey | YETLPYALMFBKCY-RBOOGIJFNA-N |
| SMILES | [C@@H](C1=CCC=CC1)(C(=O)O)NC(C)=CC(=O)OC.[NaH] |&1:0,r| |
Safety Data
| Symbol(GHS) | ![]() GHS07 |
| Signal word | Warning |
| Hazard statements | H315-H319-H335 |
| Precautionary statements | P261-P305+P351+P338 |
| Hazard Codes | Xi |
| Risk Statements | |
| Safety Statements | |
| WGK Germany | 3 |
| REACH Registrations | Active |
| Storage Class | 13 - Non Combustible Solids |
| Hazard Classifications | Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |
