<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2016-05-19 03:04:15 UTC</creation_date>
  <update_date>2026-04-16 22:14:06 UTC</update_date>
  <accession/>
  <common_name>1-Dodecanaminium, N,N,N-trimethyl-, chloride</common_name>
  <class>SmallMolecule</class>
  <description>1-Dodecanaminium, N,N,N-trimethyl-, chloride belongs to the quaternary ammonium salts, a subclass of organonitrogen compounds within the organic compounds. This compound has the chemical formula C15H34ClN and an average molecular weight of 263.89 g/mol.

In industrial applications, the substance serves as a surfactant (surface active agent), an anti-static agent, a preservative, and an emulsifier. It is identified in 23 recorded sources across several sectors. Within the category of electrical and electronic equipment, it is found in antennas, coils, conductors or conductive bodies characterised by the conductive materials, cores yokes or armatures, and electric switches, among nine other sources. Its presence in household cleaning and consumer products includes soap detergents, bleaching agents, soap dispensers, perfumes within detergents and soaps, and tobacco smoke filters. Additionally, the compound is found in building and construction materials such as floors and ceilings. In the context of food, food processing, and cookware, it is utilized in processing meats and food preservation.</description>
  <categories/>
  <types/>
  <synonyms>
    <synonym>Dodecyltrimethylammonium chloride</synonym>
    <synonym>dodecyltrimethylazanium chloride</synonym>
  </synonyms>
  <chemical_formula>C15H34ClN</chemical_formula>
  <average_molecular_weight>263.89</average_molecular_weight>
  <monisotopic_moleculate_weight>263.2379778</monisotopic_moleculate_weight>
  <iupac_name>dodecyltrimethylazanium chloride</iupac_name>
  <traditional_iupac>dodecyltrimethylammonium chloride</traditional_iupac>
  <cas_registry_number>112-00-5</cas_registry_number>
  <smiles>[Cl-].CCCCCCCCCCCC[N+](C)(C)C</smiles>
  <inchi>InChI=1S/C15H34N.ClH/c1-5-6-7-8-9-10-11-12-13-14-15-16(2,3)4;/h5-15H2,1-4H3;1H/q+1;/p-1</inchi>
  <inchikey>DDXLVDQZPFLQMZ-UHFFFAOYSA-M</inchikey>
  <taxonomy>
    <kingdom>Organic compounds</kingdom>
    <super_class>Organic nitrogen compounds</super_class>
    <class>Organonitrogen compounds</class>
    <sub_class>Quaternary ammonium salts</sub_class>
    <direct_parent>Tetraalkylammonium salts</direct_parent>
    <alternate_parents>
      <alternative_parent>Amines</alternative_parent>
      <alternative_parent>Hydrocarbon derivatives</alternative_parent>
      <alternative_parent>Organic chloride salts</alternative_parent>
      <alternative_parent>Organopnictogen compounds</alternative_parent>
    </alternate_parents>
    <substituents>
      <substituent>Aliphatic acyclic compound</substituent>
      <substituent>Amine</substituent>
      <substituent>Hydrocarbon derivative</substituent>
      <substituent>Organic chloride salt</substituent>
      <substituent>Organic salt</substituent>
      <substituent>Organopnictogen compound</substituent>
      <substituent>Tetraalkylammonium salt</substituent>
    </substituents>
    <molecular_framework>Aliphatic acyclic compounds</molecular_framework>
    <descriptors/>
  </taxonomy>
  <status>Detected and Not Quantified</status>
  <origin/>
  <cellular_locations/>
  <biofluid_locations/>
  <tissue_locations/>
  <pathways/>
  <state/>
  <appearance/>
  <experimental_properties/>
  <predicted_properties>
    <property>
      <kind>logp</kind>
      <value>0.27</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logs</kind>
      <value>-7.22</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>solubility</kind>
      <value>1.58e-05 g/l</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logp</kind>
      <value>0.91</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>iupac</kind>
      <value>dodecyltrimethylazanium chloride</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>average_mass</kind>
      <value>263.89</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>263.2379778</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>[Cl-].CCCCCCCCCCCC[N+](C)(C)C</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C15H34ClN</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C15H34N.ClH/c1-5-6-7-8-9-10-11-12-13-14-15-16(2,3)4;/h5-15H2,1-4H3;1H/q+1;/p-1</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>DDXLVDQZPFLQMZ-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>86.58</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>polarizability</kind>
      <value>32.51</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>rotatable_bond_count</kind>
      <value>11</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/>
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  <symptoms/>
  <treatment/>
  <drugbank_id/>
  <hmdb_id/>
  <pubchem_compound_id>8152</pubchem_compound_id>
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</compound>
