CAS 1965310-06-8: Benzenepropanoic acid, β-[(dimethylamino)methyl]-, hydrochloride (1:1)

Description: Benzenepropanoic acid, β-[(dimethylamino)methyl]-, hydrochloride (1:1) is a chemical compound characterized by its structural features, which include a benzene ring attached to a propanoic acid moiety and a dimethylamino group. This compound is typically encountered as a hydrochloride salt, which enhances its solubility in water and makes it suitable for various applications, particularly in pharmaceuticals. The presence of the dimethylamino group suggests potential basic properties, allowing for interactions with biological systems. The compound may exhibit properties such as moderate to high lipophilicity due to the aromatic ring, which can influence its pharmacokinetics and bioavailability. Additionally, the carboxylic acid functional group contributes to its acidity and potential reactivity. As with many compounds containing amine groups, it may also participate in hydrogen bonding, affecting its interactions in biological contexts. Overall, this compound's unique structure and functional groups position it as a candidate for further investigation in medicinal chemistry and related fields.

Formula: C₁₂H₁₇NO₂·ClH

InChI: InChI=1S/C12H17NO2.ClH/c1-13(2)9-11(8-12(14)15)10-6-4-3-5-7-10;/h3-7,11H,8-9H2,1-2H3,(H,14,15);1H

InChI key: InChIKey=QUDWTUOJGOXAIC-UHFFFAOYSA-N

SMILES: Cl.O=C(O)CC(C=1C=CC=CC1)CN(C)C

Synonyms:

• Benzenepropanoic acid, β-[(dimethylamino)methyl]-, hydrochloride (1:1)

4-Dimethylamino-3-phenyl-butyric acid hydrochloride

CAS: 1965310-06-8

• Purity: 96%
• Molecular weight: 243.72999572753906

4-Dimethylamino-3-phenyl-butyric acid hydrochloride

CAS: 1965310-06-8

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• Formula: C₁₂H₁₈ClNO₂
• Purity: Min. 95%
• Molecular weight: 243.73 g/mol