<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2016-05-19 03:16:46 UTC</creation_date>
  <update_date>2026-05-14 19:58:36 UTC</update_date>
  <accession/>
  <common_name>Benzenemethanaminium, N,N-dimethyl-N-tetradecyl-, chloride</common_name>
  <class>SmallMolecule</class>
  <description>Benzenemethanaminium, N,N-dimethyl-N-tetradecyl-, chloride is an organic compound with the chemical formula $\text{C}_{23}\text{H}_{42}\text{ClN}$ and an average molecular weight of 368.05 g/mol. Benzenemethanaminium, N,N-dimethyl-N-tetradecyl-, chloride belongs to the alkyldimethylbenzylammonium halides, a subclass of benzene and substituted derivatives within the organic compounds.

In industrial applications, this compound serves as a surfactant, biocide, and preservative. It is found in or released from 16 recorded sources across various sectors. Within the category of electrical and electronic equipment, it is associated with electric hearing aids, electric switches, electrically stimulated smoking devices, coils, conductors or conductive bodies characterised by the conductive materials, and four additional sources. Its presence in household cleaning and consumer products includes soap detergents, bleaching agents, perfumes within detergents and soaps, cigar cigarettes, and non electric simulated smoking devices. Additionally, the compound is found in building and construction materials, specifically ceilings, and is used in food preservation within the food, food processing and cookware sector.</description>
  <categories/>
  <types/>
  <synonyms>
    <synonym>Miristalkonium</synonym>
    <synonym>Quaternary ammonium compounds, benzyl-C12-16-alkyldimethyl, chlorides</synonym>
    <synonym>Quaternary ammonium compounds, benzyl-C12-18-alkyldimethyl, chlorides</synonym>
  </synonyms>
  <chemical_formula>C23H42ClN</chemical_formula>
  <average_molecular_weight>368.05</average_molecular_weight>
  <monisotopic_moleculate_weight>367.3005781</monisotopic_moleculate_weight>
  <iupac_name>benzyldimethyltetradecylazanium chloride</iupac_name>
  <traditional_iupac>benzyldimethyltetradecylazanium chloride</traditional_iupac>
  <cas_registry_number>139-08-2</cas_registry_number>
  <smiles>[Cl-].CCCCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1</smiles>
  <inchi>InChI=1S/C23H42N.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-18-21-24(2,3)22-23-19-16-15-17-20-23;/h15-17,19-20H,4-14,18,21-22H2,1-3H3;1H/q+1;/p-1</inchi>
  <inchikey>OCBHHZMJRVXXQK-UHFFFAOYSA-M</inchikey>
  <taxonomy>
    <kingdom>Organic compounds</kingdom>
    <super_class>Benzenoids</super_class>
    <class>Benzene and substituted derivatives</class>
    <sub_class>Alkyldimethylbenzylammonium halides</sub_class>
    <direct_parent>Alkyldimethylbenzylammonium chlorides</direct_parent>
    <alternate_parents>
      <alternative_parent>Aralkylamines</alternative_parent>
      <alternative_parent>Benzylamines</alternative_parent>
      <alternative_parent>Hydrocarbon derivatives</alternative_parent>
      <alternative_parent>Organic chloride salts</alternative_parent>
      <alternative_parent>Organopnictogen compounds</alternative_parent>
      <alternative_parent>Phenylmethylamines</alternative_parent>
      <alternative_parent>Tetraalkylammonium salts</alternative_parent>
    </alternate_parents>
    <substituents>
      <substituent>Alkyldimethylbenzylammonium chloride</substituent>
      <substituent>Amine</substituent>
      <substituent>Aralkylamine</substituent>
      <substituent>Aromatic homomonocyclic compound</substituent>
      <substituent>Benzylamine</substituent>
      <substituent>Hydrocarbon derivative</substituent>
      <substituent>Organic chloride salt</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>3.52</value>
    </property>
  </experimental_properties>
  <predicted_properties>
    <property>
      <kind>logp</kind>
      <value>3.14</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logs</kind>
      <value>-7.99</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>solubility</kind>
      <value>3.79e-06 g/l</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logp</kind>
      <value>3.52</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>pka_strongest_acidic</kind>
      <value>18.11</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>iupac</kind>
      <value>benzyldimethyltetradecylazanium chloride</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>average_mass</kind>
      <value>368.05</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>367.3005781</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>[Cl-].CCCCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C23H42ClN</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C23H42N.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-18-21-24(2,3)22-23-19-16-15-17-20-23;/h15-17,19-20H,4-14,18,21-22H2,1-3H3;1H/q+1;/p-1</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>OCBHHZMJRVXXQK-UHFFFAOYSA-M</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>polar_surface_area</kind>
      <value>0</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>refractivity</kind>
      <value>120.4</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>polarizability</kind>
      <value>45.32</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>rotatable_bond_count</kind>
      <value>15</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>0</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:0x00007f722619a1f0&gt;</health_effects>
  <symptoms/>
  <treatment/>
  <drugbank_id>DB16590</drugbank_id>
  <hmdb_id/>
  <pubchem_compound_id>8755</pubchem_compound_id>
  <chembl_id/>
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  <biocyc_id/>
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  <wikipidia/>
  <general_references/>
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</compound>
