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CAS 29876-08-2

:

()-2-[3-[(tert-butyl)amino]-2-hydroxypropoxy]benzonitrile monohydrochloride

Description:
The chemical substance known as ()-2-[3-[(tert-butyl)amino]-2-hydroxypropoxy]benzonitrile monohydrochloride, with the CAS number 29876-08-2, is a synthetic compound that belongs to the class of benzonitriles. It features a complex structure characterized by a benzonitrile moiety, which is a benzene ring substituted with a nitrile group, and a side chain that includes a tert-butyl amino group and a hydroxypropoxy group. This compound is typically used in pharmaceutical applications, often as an intermediate in the synthesis of biologically active molecules. Its hydrochloride salt form indicates that it is a stable, water-soluble compound, which is advantageous for formulation in various drug delivery systems. The presence of the hydroxyl group suggests potential for hydrogen bonding, influencing its solubility and reactivity. Additionally, the tert-butyl group contributes to steric hindrance, which can affect the compound's biological activity and interaction with target proteins or enzymes. Overall, this compound's unique structural features make it of interest in medicinal chemistry and drug development.
Formula:C14H20N2O2·ClH
InChI:InChI=1S/C14H20N2O2.ClH/c1-14(2,3)16-9-12(17)10-18-13-7-5-4-6-11(13)8-15;/h4-7,12,16-17H,9-10H2,1-3H3;1H
InChI key:InChIKey=RJPWESHPIMRNNM-UHFFFAOYSA-N
SMILES:O(CC(CNC(C)(C)C)O)C1=C(C#N)C=CC=C1.Cl
Synonyms:
  • (1)-2-(3-((tert-Butyl)amino)-2-hydroxypropoxy)benzonitrile monohydrochloride
  • 1-(2-Cyanophenoxy)-2-hydroxy-3-tert-butylaminopropane hydrochloride
  • 1-tert-Butylamino-3-(2-cyanophenoxy)-2-propanol hydrochloride
  • 2-(3-(tert-Butylamino)-2-hydroxypropoxy)benzonitrile hydrochloride
  • Benzonitrile, 2-[3-[(1,1-dimethylethyl)amino]-2-hydroxypropoxy]-, hydrochloride (1:1)
  • Benzonitrile, 2-[3-[(1,1-dimethylethyl)amino]-2-hydroxypropoxy]-, monohydrochloride
  • Benzonitrile, o-[3-(tert-butylamino)-2-hydroxypropoxy]-, monohydrochloride, (±)-
  • Betriol
  • Bunitrolol hydrochloride
  • Ko 1366
  • See more synonyms
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