CAS 94094-47-0
:Benzenebutanoic acid, 4-amino-, 1-methylethyl ester, hydrochloride (1:1)
Description:
Benzenebutanoic acid, 4-amino-, 1-methylethyl ester, hydrochloride (1:1), with the CAS number 94094-47-0, is a chemical compound characterized by its amine and ester functional groups. This compound features a benzenebutanoic acid backbone, which is substituted with an amino group at the para position relative to the carboxylic acid moiety. The presence of the 1-methylethyl ester indicates that the compound has an isopropyl group attached to the ester functionality, enhancing its lipophilicity. As a hydrochloride salt, it is typically more soluble in water compared to its free base form, which can facilitate its use in various applications, including pharmaceuticals. The hydrochloride form often improves stability and bioavailability. This compound may exhibit biological activity, potentially acting as a pharmaceutical agent, but specific pharmacological properties would require further investigation. Overall, its structural features suggest it could participate in various chemical reactions typical of amines and esters, making it of interest in synthetic organic chemistry and medicinal chemistry.
Formula:C13H20ClNO2
InChI:InChI=1/C13H19NO2.ClH/c1-10(2)16-13(15)5-3-4-11-6-8-12(14)9-7-11;/h6-10H,3-5,14H2,1-2H3;1H
InChI key:InChIKey=GESOPNCBJZFTBM-UHFFFAOYSA-N
SMILES:C(CCC(OC(C)C)=O)C1=CC=C(N)C=C1.Cl
Synonyms:- Isopropyl 4-(4-aminophenyl)butyrate HCl
- Isopropyl 4-(4-aminophenyl)butyrate hydrochloride
- 1-methylethyl 4-(4-aminophenyl)butanoate hydrochloride
- Benzenebutanoic acid, 4-amino-, 1-methylethyl ester, hydrochloride (1:1)
- Benzenebutanoic acid, 4-amino-, 1-methylethyl ester, hydrochloride
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