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CAS 2109874-10-2

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Benzenemethanamine, 4-bromo-3-fluoro-α-methyl-, hydrochloride (1:1), (αS)-

Description:
Benzenemethanamine, 4-bromo-3-fluoro-α-methyl-, hydrochloride (1:1), (αS)-, is a chemical compound characterized by its specific structural features and functional groups. It contains a benzene ring substituted with a bromine atom at the para position and a fluorine atom at the meta position relative to the amine group. The α-methyl group indicates the presence of a methyl substituent on the carbon adjacent to the amine, which can influence the compound's steric and electronic properties. As a hydrochloride salt, it is typically more soluble in water compared to its free base form, enhancing its utility in various applications, including pharmaceuticals. The (αS)- designation refers to the specific stereochemistry of the α-methyl group, indicating its chirality. This compound may exhibit biological activity, making it of interest in medicinal chemistry, particularly in the development of drugs targeting specific receptors or pathways. Its CAS number, 2109874-10-2, allows for precise identification in chemical databases and literature.
Formula:C8H9BrFN·ClH
InChI:InChI=1S/C8H9BrFN.ClH/c1-5(11)6-2-3-7(9)8(10)4-6;/h2-5H,11H2,1H3;1H/t5-;/m0./s1
InChI key:InChIKey=BLXILKBUBMZCET-JEDNCBNOSA-N
SMILES:[C@@H](C)(N)C1=CC(F)=C(Br)C=C1.Cl
Synonyms:
  • Benzenemethanamine, 4-bromo-3-fluoro-α-methyl-, hydrochloride (1:1), (αS)-
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