
103146-25-4
| Name | 4-[4-(Dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl]-3-(hydroxymethyl)benzonitrile |
| CAS | 103146-25-4 |
| EINECS(EC#) | 430-780-1 |
| Molecular Formula | C20H23FN2O2 |
| MDL Number | MFCD06795501 |
| Molecular Weight | 342.41 |
| MOL File | 103146-25-4.mol |
Chemical Properties
| Boiling point | 537.2±50.0 °C(Predicted) |
| density | 1.22±0.1 g/cm3(Predicted) |
| storage temp. | 2-8°C |
| pka | 12.97±0.29(Predicted) |
| Major Application | pharmaceutical small molecule |
| InChI | InChI=1S/C20H23FN2O2/c1-23(2)11-3-10-20(25,17-5-7-18(21)8-6-17)19-9-4-15(13-22)12-16(19)14-24/h4-9,12,24-25H,3,10-11,14H2,1-2H3 |
| InChIKey | GNULRNVWXYXBQY-UHFFFAOYSA-N |
| SMILES | C(#N)C1=CC=C(C(C2=CC=C(F)C=C2)(O)CCCN(C)C)C(CO)=C1 |
Safety Data
| Symbol(GHS) | ![]() GHS06 |
| Signal word | Danger |
| Hazard statements | H301-H311-H331 |
| Precautionary statements | P260-P264-P270-P271-P280-P301+P310-P302+P352-P304+P340-P311-P312-P321-P322-P330-P361-P363-P403+P233-P405-P501 |
| WGK Germany | WGK 2 |
| REACH Registrations | Active |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Acute Tox. 4 Oral Aquatic Chronic 2 Skin Sens. 1A |
