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<compound>
  <version>1.0</version>
  <creation_date>2026-04-04 20:54:42 UTC</creation_date>
  <update_date>2026-04-04 20:54:42 UTC</update_date>
  <accession/>
  <common_name>[2-(Diphenylacetoxy)ethyl]diethylmethylammonium bromide</common_name>
  <class>SmallMolecule</class>
  <description>[2-(Diphenylacetoxy)ethyl]diethylmethylammonium bromide belongs to the diphenylmethanes, a subclass of benzene and substituted derivatives within the organic compounds. This benzenoid compound has the chemical formula C21H28NO2 and an average molecular weight of 406.36 g/mol.

The substance has been identified in or released from three recorded sources, all of which are associated with electrical and electronic equipment. Specifically, these sources include amplifiers, line transmission systems, and television systems.</description>
  <categories/>
  <types/>
  <synonyms/>
  <chemical_formula>C21H28NO2</chemical_formula>
  <average_molecular_weight>406.364</average_molecular_weight>
  <monisotopic_moleculate_weight>326.2120041</monisotopic_moleculate_weight>
  <iupac_name/>
  <traditional_iupac/>
  <cas_registry_number>6113-04-8</cas_registry_number>
  <smiles>[Br-].CC[N+](C)(CC)CCOC(=O)C(C1=CC=CC=C1)C1=CC=CC=C1</smiles>
  <inchi>InChI=1/C21H28NO2.BrH/c1-4-22(3,5-2)16-17-24-21(23)20(18-12-8-6-9-13-18)19-14-10-7-11-15-19;/h6-15,20H,4-5,16-17H2,1-3H3;1H/q+1;/p-1</inchi>
  <inchikey>WMUOPJLADBOCIX-UHFFFAOYSA-M</inchikey>
  <taxonomy>
    <kingdom/>
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    <class/>
    <sub_class/>
    <direct_parent/>
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    <substituents/>
    <molecular_framework/>
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  </taxonomy>
  <status>Detected and Not Quantified</status>
  <origin/>
  <cellular_locations/>
  <biofluid_locations/>
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  <pathways/>
  <state/>
  <appearance/>
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    <property>
      <kind>average_mass</kind>
      <value>406.364</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>326.2120041</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>[Br-].CC[N+](C)(CC)CCOC(=O)C(C1=CC=CC=C1)C1=CC=CC=C1</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C21H28NO2</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1/C21H28NO2.BrH/c1-4-22(3,5-2)16-17-24-21(23)20(18-12-8-6-9-13-18)19-14-10-7-11-15-19;/h6-15,20H,4-5,16-17H2,1-3H3;1H/q+1;/p-1</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>WMUOPJLADBOCIX-UHFFFAOYSA-M</value>
      <source>ChemAxon</source>
    </property>
  </predicted_properties>
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  <pubchem_compound_id>197841</pubchem_compound_id>
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