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CAS 71-79-4

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Benzeneacetic acid, α-hydroxy-α-phenyl-, 2-(dimethylamino)ethyl ester, hydrochloride

Description:
Benzeneacetic acid, α-hydroxy-α-phenyl-, 2-(dimethylamino)ethyl ester, hydrochloride, commonly known as "Benzylideneacetone," is a chemical compound characterized by its ester functional group and the presence of a dimethylamino group. This compound typically appears as a white to off-white crystalline solid and is soluble in water due to the hydrochloride salt form. It exhibits properties such as being a weak acid, with potential applications in pharmaceuticals and organic synthesis. The presence of the dimethylamino group contributes to its basicity and can influence its reactivity and interaction with biological systems. Additionally, the aromatic benzene ring provides stability and can participate in various chemical reactions, including electrophilic substitution. As with many organic compounds, safety precautions should be taken when handling this substance, as it may pose health risks if ingested or inhaled. Overall, its unique structure and properties make it a compound of interest in both research and industrial applications.
Formula:C18H21NO3·ClH
InChI:InChI=1S/C18H21NO3.ClH/c1-19(2)13-14-22-17(20)18(21,15-9-5-3-6-10-15)16-11-7-4-8-12-16;/h3-12,21H,13-14H2,1-2H3;1H
InChI key:InChIKey=IJKAOMCJQZGZPQ-UHFFFAOYSA-N
SMILES:C(C(OCCN(C)C)=O)(O)(C1=CC=CC=C1)C2=CC=CC=C2.Cl
Synonyms:
  • Ethanol, 2-dimethylamino-, benzilate-HCl
  • Benzacin hydrochloride
  • Benzilic acid, 2-(dimethylamino)ethyl ester hydrochloride
  • Benzeneacetic acid, α-hydroxy-α-phenyl-, 2-(dimethylamino)ethyl ester, hydrochloride
  • Benzacine hydrochloride
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