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CAS 10400-20-1

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3-Pyridinecarboxylic acid, 1-(4-chlorophenyl)-2-methylpropyl ester, hydrochloride (1:1)

Description:
3-Pyridinecarboxylic acid, 1-(4-chlorophenyl)-2-methylpropyl ester, hydrochloride (1:1), commonly referred to by its CAS number 10400-20-1, is a chemical compound characterized by its ester functional group derived from 3-pyridinecarboxylic acid and a substituted alkyl chain. This compound typically appears as a white to off-white crystalline solid and is soluble in polar solvents such as water and alcohols, owing to the presence of the hydrochloride moiety which enhances its solubility. The presence of the 4-chlorophenyl group contributes to its potential biological activity, making it of interest in pharmaceutical research. Its molecular structure includes a pyridine ring, which is known for its aromatic properties and ability to participate in various chemical reactions. As with many esters, it may exhibit moderate stability under standard conditions but can be hydrolyzed in the presence of strong acids or bases. Safety data should be consulted for handling and storage, as with all chemical substances, to ensure proper precautions are taken.
Formula:C16H16ClNO2·ClH
InChI:InChI=1S/C16H16ClNO2.ClH/c1-11(2)15(12-5-7-14(17)8-6-12)20-16(19)13-4-3-9-18-10-13;/h3-11,15H,1-2H3;1H
InChI key:InChIKey=WFOSBBBLIAVCRP-UHFFFAOYSA-N
SMILES:C(OC(=O)C=1C=CC=NC1)(C(C)C)C2=CC=C(Cl)C=C2.Cl
Synonyms:
  • Nicotinic acid, p-chloro-α-isopropylbenzyl ester, hydrochloride
  • 3-Pyridinecarboxylic acid, 1-(4-chlorophenyl)-2-methylpropyl ester, hydrochloride (1:1)
  • 3-Pyridinecarboxylic acid, 1-(4-chlorophenyl)-2-methylpropyl ester, hydrochloride
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