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CAS 74733-37-2

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Benzoic acid, 4-(3-aminopropyl)-, methyl ester, hydrochloride (1:1)

Description:
Benzoic acid, 4-(3-aminopropyl)-, methyl ester, hydrochloride (1:1), with the CAS number 74733-37-2, is a chemical compound that features a benzoic acid moiety substituted with a 3-aminopropyl group and a methyl ester functional group. This compound is typically characterized by its white crystalline appearance and is soluble in water due to the presence of the hydrochloride salt form, which enhances its solubility compared to the free base. The presence of the amino group suggests potential for biological activity, possibly acting as a ligand or in pharmaceutical applications. The methyl ester group indicates that it may undergo hydrolysis to release benzoic acid and methanol under certain conditions. Additionally, the hydrochloride form indicates that it can exist as a salt, which may influence its stability and reactivity. Overall, this compound may be of interest in medicinal chemistry and related fields due to its structural features and potential biological properties.
Formula:C11H16ClNO2
InChI:InChI=1S/C11H15NO2.ClH/c1-14-11(13)10-6-4-9(5-7-10)3-2-8-12;/h4-7H,2-3,8,12H2,1H3;1H
InChI key:InChIKey=HBECMWBQBLMLDP-UHFFFAOYSA-N
SMILES:C(OC)(=O)C1=CC=C(CCCN)C=C1.Cl
Synonyms:
  • Benzoic acid, 4-(3-aminopropyl)-, methyl ester, hydrochloride
  • Benzoic acid, 4-(3-aminopropyl)-, methyl ester, hydrochloride (1:1)
  • METHYL 4-(3-AMINOPROPYL)BENZOATE HCL
  • Methyl 4-(3-aMinopropyl)benzoate hydrochloride
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