<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2026-03-26 19:58:03 UTC</creation_date>
  <update_date>2026-08-21 20:15:50 UTC</update_date>
  <accession/>
  <common_name>Benzododecinium</common_name>
  <class>SmallMolecule</class>
  <description>Benzododecinium is an organic compound with the formula C21H38N1 and an average molecular weight of 304.54 g/mol. Benzododecinium belongs to the phenylmethylamines, a subclass of benzene and substituted derivatives within the organic compounds.

This substance is found in or released from 30 recorded sources. Within electrical and electronic equipment, it is associated with amplifiers, antennas, auxiliary devices, electric hearing aids, and conductors or conductive bodies characterised by the conductive materials. In the category of household cleaning and consumer products, it is found in bleaching agents, non electric simulated smoking devices, other smoking requisites, pipe accessories, and perfumes within detergents and soaps, among four other sources. Its presence in food, food processing and cookware is noted in food preservation and the processing of meats. Additionally, it is found in healthcare, pharmaceuticals and veterinary products, specifically medicated dressings. Environmental and structural sources include indoor air, as well as roofs in building and construction. Recorded exposure routes for benzododecinium include inhalation and extracorporeal contact.</description>
  <categories/>
  <types/>
  <synonyms>
    <synonym>ajatin</synonym>
    <synonym>Ammonium, benzyldodecyldimethyl-</synonym>
    <synonym>BENZALKONIUM</synonym>
    <synonym>Benzenemethanaminium, N-dodecyl-N,N-dimethyl-</synonym>
    <synonym>Benzododecinii Chloridum</synonym>
    <synonym>benzododecinium</synonym>
    <synonym>Benzyl dodecyl dimethylammonium cation</synonym>
    <synonym>benzyl-cetyl-dimethyl-ammonium</synonym>
    <synonym>benzyl-lauryl-dimethyl-ammonium</synonym>
    <synonym>Benzylcetyldimethylammonium</synonym>
    <synonym>Benzyldimethyldodecylammonium ion</synonym>
    <synonym>Benzyldimethylhexadecyl ammonium</synonym>
    <synonym>benzyldimethyllaurylammonium</synonym>
    <synonym>Benzyldodecyldimethylammonium</synonym>
    <synonym>Cetalkonium</synonym>
    <synonym>cetyldimethylbenzylammonium</synonym>
    <synonym>dimethyldodecylbenzylammonium</synonym>
    <synonym>Dimethyllaurylbenzylammonium</synonym>
    <synonym>dodecyl-dimethyl-(phenylmethyl)ammonium</synonym>
    <synonym>dodecyl-dimethyl-(phenylmethyl)azanium</synonym>
    <synonym>hexadecyl-dimethyl-(phenylmethyl)ammonium</synonym>
    <synonym>hexadecyl-dimethyl-(phenylmethyl)azanium</synonym>
    <synonym>Lauryldimethylbenzylammonium</synonym>
    <synonym>N-Benzyl-N,N-dimethyl-1-dodecanaminium</synonym>
    <synonym>N-Benzyl-N,N-dimethyldodecan-1-aminium</synonym>
    <synonym>N-Benzyl-N-dodecyl-N,N-dimethylammonium</synonym>
    <synonym>N-dodecyl-N,N-dimethylbenzenemethanaminium</synonym>
    <synonym>NCGC00164245-01</synonym>
    <synonym>UNII-7N6JUD5X6Y</synonym>
    <synonym>UNII-N0BN0O8CSL</synonym>
    <synonym>UNII:N0BN0O8CSL</synonym>
  </synonyms>
  <chemical_formula>C21H38N1</chemical_formula>
  <average_molecular_weight>304.541</average_molecular_weight>
  <monisotopic_moleculate_weight>304.300425</monisotopic_moleculate_weight>
  <iupac_name>benzyl(dodecyl)dimethylazanium</iupac_name>
  <traditional_iupac>benzyl(dodecyl)dimethylazanium</traditional_iupac>
  <cas_registry_number>10328-35-5;5459-84-7;12040-60-7;1340-95-0</cas_registry_number>
  <smiles>CCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1</smiles>
  <inchi>InChI=1S/C21H38N/c1-4-5-6-7-8-9-10-11-12-16-19-22(2,3)20-21-17-14-13-15-18-21/h13-15,17-18H,4-12,16,19-20H2,1-3H3/q+1</inchi>
  <inchikey>CYDRXTMLKJDRQH-UHFFFAOYSA-N</inchikey>
  <taxonomy>
    <kingdom>Organic compounds</kingdom>
    <super_class>Benzenoids</super_class>
    <class>Benzene and substituted derivatives</class>
    <sub_class>Phenylmethylamines</sub_class>
    <direct_parent>Phenylmethylamines</direct_parent>
    <alternate_parents>
      <alternative_parent>Aralkylamines</alternative_parent>
      <alternative_parent>Benzylamines</alternative_parent>
      <alternative_parent>Hydrocarbon derivatives</alternative_parent>
      <alternative_parent>Organic cations</alternative_parent>
      <alternative_parent>Organic salts</alternative_parent>
      <alternative_parent>Organopnictogen compounds</alternative_parent>
      <alternative_parent>Tetraalkylammonium salts</alternative_parent>
    </alternate_parents>
    <substituents>
      <substituent>Amine</substituent>
      <substituent>Aralkylamine</substituent>
      <substituent>Aromatic homomonocyclic compound</substituent>
      <substituent>Benzylamine</substituent>
      <substituent>Hydrocarbon derivative</substituent>
      <substituent>Organic cation</substituent>
      <substituent>Organic nitrogen compound</substituent>
      <substituent>Organic salt</substituent>
      <substituent>Organonitrogen compound</substituent>
      <substituent>Organopnictogen compound</substituent>
      <substituent>Phenylmethylamine</substituent>
      <substituent>Quaternary ammonium salt</substituent>
      <substituent>Tetraalkylammonium salt</substituent>
    </substituents>
    <molecular_framework>Aromatic homomonocyclic compounds</molecular_framework>
    <descriptors/>
  </taxonomy>
  <status>Detected and Not Quantified</status>
  <origin/>
  <cellular_locations/>
  <biofluid_locations/>
  <tissue_locations/>
  <pathways/>
  <state/>
  <appearance/>
  <experimental_properties>
    <property>
      <kind>logp</kind>
      <value>2.63</value>
    </property>
  </experimental_properties>
  <predicted_properties>
    <property>
      <kind>logp</kind>
      <value>2.79</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logs</kind>
      <value>-7.85</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>solubility</kind>
      <value>4.79e-06 g/l</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logp</kind>
      <value>2.63</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>pka_strongest_acidic</kind>
      <value>18.11</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>iupac</kind>
      <value>benzyl(dodecyl)dimethylazanium</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>average_mass</kind>
      <value>304.541</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>304.300425</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>CCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C21H38N1</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C21H38N/c1-4-5-6-7-8-9-10-11-12-16-19-22(2,3)20-21-17-14-13-15-18-21/h13-15,17-18H,4-12,16,19-20H2,1-3H3/q+1</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>CYDRXTMLKJDRQH-UHFFFAOYSA-N</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>polar_surface_area</kind>
      <value>0</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>refractivity</kind>
      <value>111.2</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>polarizability</kind>
      <value>41.07</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>rotatable_bond_count</kind>
      <value>13</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>acceptor_count</kind>
      <value>0</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>donor_count</kind>
      <value>0</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>physiological_charge</kind>
      <value>1</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formal_charge</kind>
      <value>1</value>
      <source>ChemAxon</source>
    </property>
  </predicted_properties>
  <route_of_exposure/>
  <mechanism_of_toxicity/>
  <metabolism/>
  <toxicity/>
  <lethaldose/>
  <carcinogenicity/>
  <use_source/>
  <min_risk_level/>
  <health_effects>#&lt;HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f7280630160&gt;</health_effects>
  <symptoms/>
  <treatment/>
  <drugbank_id>DB13282</drugbank_id>
  <hmdb_id/>
  <pubchem_compound_id>8754</pubchem_compound_id>
  <chembl_id/>
  <chemspider_id>8424</chemspider_id>
  <kegg_id/>
  <uniprot_id/>
  <omim_id/>
  <chebi_id/>
  <biocyc_id/>
  <ctd_id/>
  <stitch_id/>
  <actor_id/>
  <pdb_id/>
  <wikipidia/>
  <general_references/>
  <targets>
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  </targets>
</compound>
