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CAS 33948-04-8

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Benzoic acid, 4-[2-hydroxy-3-[(1-methylethyl)amino]propoxy]-, hydrochloride (1:1)

Description:
Benzoic acid, 4-[2-hydroxy-3-[(1-methylethyl)amino]propoxy]-, hydrochloride (1:1), commonly referred to by its CAS number 33948-04-8, is a chemical compound characterized by its structure, which includes a benzoic acid moiety linked to a propoxy group that contains a hydroxy and an isopropylamino substituent. This compound typically appears as a white to off-white crystalline solid and is soluble in water due to the presence of the hydrochloride salt form, which enhances its solubility compared to the free base. It exhibits properties typical of both benzoic acid derivatives and amine compounds, including potential applications in pharmaceuticals, particularly as a drug formulation or intermediate. The presence of the hydroxyl group contributes to its potential for hydrogen bonding, influencing its reactivity and interaction with biological systems. As with many compounds containing amine functionalities, it may exhibit basic properties, and its hydrochloride form indicates it can act as a salt, which is often more stable and easier to handle in various applications.
Formula:C13H19NO4·ClH
InChI:InChI=1S/C13H19NO4.ClH/c1-9(2)14-7-11(15)8-18-12-5-3-10(4-6-12)13(16)17;/h3-6,9,11,14-15H,7-8H2,1-2H3,(H,16,17);1H
InChI key:InChIKey=IRZZEEUIEFLEJY-UHFFFAOYSA-N
SMILES:O(CC(CNC(C)C)O)C1=CC=C(C(O)=O)C=C1.Cl
Synonyms:
  • Benzoic acid, 4-[2-hydroxy-3-[(1-methylethyl)amino]propoxy]-, hydrochloride (1:1)
  • Benzoic acid, p-[2-hydroxy-3-(isopropylamino)propoxy]-, hydrochloride
  • Benzoic acid, 4-[2-hydroxy-3-[(1-methylethyl)amino]propoxy]-, hydrochloride
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