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CAS 73-80-3

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Benzenemethanaminium, 2-bromo-N,N-diethyl-N-methyl-, 4-methylbenzenesulfonate (1:1)

Description:
Benzenemethanaminium, 2-bromo-N,N-diethyl-N-methyl-, 4-methylbenzenesulfonate (1:1), commonly referred to by its CAS number 73-80-3, is an organic compound characterized by its quaternary ammonium structure. This substance features a benzyl group attached to a nitrogen atom that is further substituted with two ethyl groups and one methyl group, contributing to its cationic nature. The presence of a 2-bromo substituent indicates that it has a bromine atom attached to the benzene ring, which can influence its reactivity and solubility. Additionally, the compound includes a 4-methylbenzenesulfonate moiety, which enhances its solubility in polar solvents and may impart specific biological or chemical properties. Typically, quaternary ammonium compounds like this one exhibit antimicrobial activity and are used in various applications, including as surfactants, disinfectants, and in pharmaceuticals. Its stability and reactivity can be influenced by the surrounding environment, making it important to consider factors such as pH and temperature in practical applications.
Formula:C12H19BrN·C7H7O3S
InChI:InChI=1S/C12H19BrN.C7H8O3S/c1-4-14(3,5-2)10-11-8-6-7-9-12(11)13;1-6-2-4-7(5-3-6)11(8,9)10/h6-9H,4-5,10H2,1-3H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1
InChI key:InChIKey=KGYGWDRZTMDSHS-UHFFFAOYSA-M
SMILES:C([N+](CC)(CC)C)C1=C(Br)C=CC=C1.S(=O)(=O)([O-])C1=CC=C(C)C=C1
Synonyms:
  • Benzenemethanaminium, 2-bromo-N,N-diethyl-N-methyl-, salt with 4-methylbenzenesulfonic acid (1:1)
  • Benzenemethanaminium, 2-bromo-N,N-diethyl-N-methyl-, 4-methylbenzenesulfonate (1:1)
  • Ammonium, (o-bromobenzyl)diethylmethyl-, p-toluenesulfonate
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