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CAS 103146-25-4

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

Description:
4-[4-(Dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl]-3-(hydroxymethyl)benzonitrile, with CAS number 103146-25-4, is a chemical compound characterized by its complex structure, which includes a benzonitrile moiety and multiple functional groups such as a dimethylamino group, a hydroxybutyl chain, and a hydroxymethyl group. This compound is typically classified as an organic molecule and may exhibit properties such as solubility in organic solvents, potential biological activity, and specific reactivity due to the presence of the nitrile and hydroxyl functional groups. The fluorine atom in the structure can influence the compound's electronic properties and lipophilicity, potentially affecting its pharmacokinetics if it is used in medicinal chemistry. Its synthesis and applications may be relevant in fields such as pharmaceuticals, where it could serve as a precursor or an active ingredient in drug development. As with many organic compounds, safety and handling precautions are essential due to potential toxicity or reactivity.
Formula:C20H23FN2O2
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
InChI key:InChIKey=GNULRNVWXYXBQY-UHFFFAOYSA-N
SMILES:C(CCCN(C)C)(O)(C1=C(CO)C=C(C#N)C=C1)C2=CC=C(F)C=C2
Synonyms:
  • Citadiol
  • 4-[4-(Dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl]-3-(hydroxymethyl)benzonitrile
  • 4-[4-(Dimethylamino)-1-(4′-fluorophenyl)-1-[hydroxy]butyl]-3-(hydroxymethyl)benzonitrile
  • Benzonitrile, 4-[4-(dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl]-3-(hydroxymethyl)-
  • 4-[4-(dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl]-3-(hydroxymethyl)benzonitrile
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