54239-39-3
| Name | CIMBUTEROL |
| CAS | 54239-39-3 |
| Molecular Formula | C13H19N3O |
| MDL Number | MFCD16652572 |
| Molecular Weight | 233.31 |
| MOL File | 54239-39-3.mol |
Chemical Properties
| Melting point | 189-191°C |
| Boiling point | 438.7±45.0 °C(Predicted) |
| density | 1.12±0.1 g/cm3(Predicted) |
| storage temp. | -20°C Freezer |
| solubility | Dichloromethane (Slightly, Heated), Methanol (Slightly, Heated, Sonicated) |
| form | neat |
| pka | 13.77±0.20(Predicted) |
| color | White to Pale Yellow |
| Major Application | forensics and toxicology pharmaceutical (small molecule) veterinary |
| InChI | 1S/C13H19N3O/c1-13(2,3)16-8-12(17)9-4-5-11(15)10(6-9)7-14/h4-6,12,16-17H,8,15H2,1-3H3 |
| InChIKey | YKKQAXQGZIBJFS-UHFFFAOYSA-N |
| SMILES | CC(C)(C)NCC(O)c1ccc(N)c(c1)C#N |
Safety Data
| Hazard Codes | Xi |
| Risk Statements | |
| Safety Statements | |
| WGK Germany | 3 |
| HS Code | 29221990 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |