<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2016-05-19 02:19:38 UTC</creation_date>
  <update_date>2026-08-20 01:42:11 UTC</update_date>
  <accession/>
  <common_name>OCTADECYLAMINE</common_name>
  <class>SmallMolecule</class>
  <description>OCTADECYLAMINE belongs to the amines, a subclass of organonitrogen compounds within the organic compounds. This organic nitrogen compound has the chemical formula $\text{C}_{18}\text{H}_{39}\text{N}$ and an average molecular weight of 269.51 g/mol. Industrially, it is utilized as an anti-static agent and as processing aids not otherwise specified.

The compound is found in or released from 24 recorded sources across multiple sectors. In the electrical and electronic equipment sector, it is associated with antennas, amplifiers, electric switches, communication cables or conductors, and cores yokes or armatures, among nine other items. Within food, food processing, and cookware, it is found in food contact materials, processing meats, and fermentation processes for beer. Other sources include soap detergents and bleaching agents in household cleaning and consumer products, tobacco smoke filters, indoor air, drinking water, and tents or canopies in the building and construction sector. Recorded exposure routes for the substance include oral, inhalation, and touch.

Regarding its presence in plastics, OCTADECYLAMINE is present in polyamide. Results are inconclusive for its presence in polyacrylonitrile, polyethylene terephthalate, and polypropylene.</description>
  <categories/>
  <types/>
  <synonyms>
    <synonym>1-Octadecanamine</synonym>
    <synonym>Amines, hydrogenated tallow alkyl</synonym>
    <synonym>TALLOW, HYDROGENATED</synonym>
    <synonym>Tallow, hydrogenated</synonym>
  </synonyms>
  <chemical_formula>C18H39N</chemical_formula>
  <average_molecular_weight>269.509</average_molecular_weight>
  <monisotopic_moleculate_weight>269.308250253</monisotopic_moleculate_weight>
  <iupac_name>octadecan-1-amine</iupac_name>
  <traditional_iupac>octadecylamine</traditional_iupac>
  <cas_registry_number>124-30-1</cas_registry_number>
  <smiles>CCCCCCCCCCCCCCCCCCN</smiles>
  <inchi>InChI=1S/C18H39N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h2-19H2,1H3</inchi>
  <inchikey>REYJJPSVUYRZGE-UHFFFAOYSA-N</inchikey>
  <taxonomy>
    <kingdom>Organic compounds</kingdom>
    <super_class>Organic nitrogen compounds</super_class>
    <class>Organonitrogen compounds</class>
    <sub_class>Amines</sub_class>
    <direct_parent>Monoalkylamines</direct_parent>
    <alternate_parents>
      <alternative_parent>Hydrocarbon derivatives</alternative_parent>
      <alternative_parent>Organopnictogen compounds</alternative_parent>
    </alternate_parents>
    <substituents>
      <substituent>Aliphatic acyclic compound</substituent>
      <substituent>Hydrocarbon derivative</substituent>
      <substituent>Organopnictogen compound</substituent>
      <substituent>Primary aliphatic amine</substituent>
    </substituents>
    <molecular_framework>Aliphatic acyclic compounds</molecular_framework>
    <descriptors>
      <descriptor>primary aliphatic amine</descriptor>
    </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>8.5</value>
    </property>
  </experimental_properties>
  <predicted_properties>
    <property>
      <kind>logp</kind>
      <value>8.27</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logs</kind>
      <value>-6.91</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>solubility</kind>
      <value>3.33e-05 g/l</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logp</kind>
      <value>6.92</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>pka_strongest_basic</kind>
      <value>10.21</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>iupac</kind>
      <value>octadecan-1-amine</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>average_mass</kind>
      <value>269.509</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>269.308250253</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>CCCCCCCCCCCCCCCCCCN</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C18H39N</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C18H39N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h2-19H2,1H3</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>REYJJPSVUYRZGE-UHFFFAOYSA-N</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>polar_surface_area</kind>
      <value>26.02</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>refractivity</kind>
      <value>88.21</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>polarizability</kind>
      <value>39.13</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>rotatable_bond_count</kind>
      <value>16</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>acceptor_count</kind>
      <value>1</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>donor_count</kind>
      <value>1</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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  <metabolism/>
  <toxicity/>
  <lethaldose/>
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  <use_source/>
  <min_risk_level/>
  <health_effects>#&lt;HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f7224a04748&gt;</health_effects>
  <symptoms/>
  <treatment/>
  <drugbank_id/>
  <hmdb_id/>
  <pubchem_compound_id>15793</pubchem_compound_id>
  <chembl_id/>
  <chemspider_id>15016</chemspider_id>
  <kegg_id/>
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  <chebi_id/>
  <biocyc_id/>
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  <wikipidia/>
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</compound>
