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CAS 1131594-34-7

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3-Bromo-4-[[(2-hydroxyethyl)methylamino]methyl]benzoic acid

Description:
3-Bromo-4-[[(2-hydroxyethyl)methylamino]methyl]benzoic acid is an organic compound characterized by its complex structure, which includes a bromine atom, a benzoic acid moiety, and a side chain featuring a hydroxyethyl and methylamino group. This compound typically appears as a solid at room temperature and is soluble in polar solvents due to the presence of the hydroxyl group, which can engage in hydrogen bonding. The bromine substituent introduces both steric and electronic effects, potentially influencing the compound's reactivity and biological activity. The presence of the carboxylic acid functional group suggests that it can participate in acid-base reactions, while the amino group may allow for interactions with biological targets, making it of interest in medicinal chemistry. Its molecular structure indicates potential applications in pharmaceuticals, particularly in drug design and development, where modifications to the benzoic acid framework can lead to compounds with enhanced efficacy or selectivity. Safety and handling precautions should be observed due to the presence of bromine and the potential for biological activity.
Formula:C11H14BrNO3
InChI:InChI=1S/C11H14BrNO3/c1-13(4-5-14)7-9-3-2-8(11(15)16)6-10(9)12/h2-3,6,14H,4-5,7H2,1H3,(H,15,16)
InChI key:InChIKey=BWYREWOLPMYWPM-UHFFFAOYSA-N
SMILES:C(N(CCO)C)C1=C(Br)C=C(C(O)=O)C=C1
Synonyms:
  • Benzoic acid, 3-bromo-4-[[(2-hydroxyethyl)methylamino]methyl]-
  • 3-Bromo-4-[[(2-hydroxyethyl)methylamino]methyl]benzoic acid
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