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CAS 85532-41-8

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Butanoic acid, 3-methyl-3-[(phenylmethyl)amino]-, ethyl ester, hydrochloride (1:1)

Description:
Butanoic acid, 3-methyl-3-[(phenylmethyl)amino]-, ethyl ester, hydrochloride (1:1), with the CAS number 85532-41-8, is a chemical compound characterized by its ester functional group and the presence of a hydrochloride salt. This compound features a butanoic acid backbone, which contributes to its carboxylic acid properties, while the ethyl ester portion indicates that it is an ester derivative, enhancing its solubility in organic solvents. The presence of a phenylmethylamino group suggests potential biological activity, as amines can interact with various biological targets. The hydrochloride form indicates that the compound is protonated, which can influence its solubility and stability in aqueous environments. Generally, compounds of this nature may exhibit moderate to high polarity due to the carboxylic acid and amine functionalities, and they may participate in hydrogen bonding. Such characteristics make it relevant in pharmaceutical applications, particularly in drug formulation and development, where solubility and bioavailability are critical factors.
Formula:C14H21NO2·ClH
InChI:InChI=1S/C14H21NO2.ClH/c1-4-17-13(16)10-14(2,3)15-11-12-8-6-5-7-9-12;/h5-9,15H,4,10-11H2,1-3H3;1H
InChI key:InChIKey=DUZUEWHUONPTKI-UHFFFAOYSA-N
SMILES:C(NC(CC(OCC)=O)(C)C)C1=CC=CC=C1.Cl
Synonyms:
  • Butanoic acid, 3-methyl-3-[(phenylmethyl)amino]-, ethyl ester, hydrochloride (1:1)
  • Ethyl 3-(N-benzylamino)-3-methylbutyrate hydrochloride
  • Butanoic acid, 3-methyl-3-[(phenylmethyl)amino]-, ethyl ester, hydrochloride
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