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4-[4-(Dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl]-3-(hydroxymethyl)benzonitrile Structure

4-[4-(Dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl]-3-(hydroxymethyl)benzonitrile

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 Information

WGK Germany  WGK 2
Storage Class 11 - Combustible Solids
Hazard Classifications Acute Tox. 4 Oral
Aquatic Chronic 2
Skin Sens. 1A

Usage And Synthesis

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