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CAS 124088-59-1

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Benzenemethanaminium, N,N-dimethyl-N-octadecyl-, 3-nitrobenzenesulfonate (1:1)

Description:
Benzenemethanaminium, N,N-dimethyl-N-octadecyl-, 3-nitrobenzenesulfonate (1:1), commonly referred to as a quaternary ammonium compound, exhibits several notable characteristics. This substance is typically a surfactant, characterized by its long hydrophobic alkyl chain (octadecyl) and a positively charged nitrogen atom, which enhances its solubility in both organic solvents and water. The presence of the 3-nitrobenzenesulfonate group contributes to its anionic nature, allowing it to interact with various surfaces and other molecules, making it useful in applications such as emulsification, wetting, and as a dispersant. Its structure suggests potential antimicrobial properties, which are common in quaternary ammonium compounds. Additionally, due to its long carbon chain, it may exhibit low volatility and high stability under standard conditions. However, safety and environmental considerations are essential, as quaternary ammonium compounds can be toxic to aquatic life and may require careful handling and disposal. Overall, this compound's unique structure and properties make it valuable in various industrial and research applications.
Formula:C27H50N·C6H4NO5S
InChI:InChI=1S/C27H50N.C6H5NO5S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-25-28(2,3)26-27-23-20-19-21-24-27;8-7(9)5-2-1-3-6(4-5)13(10,11)12/h19-21,23-24H,4-18,22,25-26H2,1-3H3;1-4H,(H,10,11,12)/q+1;/p-1
InChI key:InChIKey=BOFBUPWQQRTHQX-UHFFFAOYSA-M
SMILES:C([N+](CCCCCCCCCCCCCCCCCC)(C)C)C1=CC=CC=C1.S(=O)(=O)([O-])C1=CC(N(=O)=O)=CC=C1
Synonyms:
  • Benzyldimethyloctadecylammonium 3-nitrobenzenesulfonate
  • Benzenesulfonic acid, 3-nitro-, ion(1-), N,N-dimethyl-N-octadecylbenzenemethanaminium
  • Benzenemethanaminium, N,N-dimethyl-N-octadecyl-, 3-nitrobenzenesulfonate (1:1)
  • Benzenemethanaminium, N,N-dimethyl-N-octadecyl-, salt with 3-nitrobenzenesulfonic acid (1:1)
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