<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2016-05-19 03:04:54 UTC</creation_date>
  <update_date>2026-08-20 01:40:11 UTC</update_date>
  <accession/>
  <common_name>9-Octadecen-1-amine</common_name>
  <class>SmallMolecule</class>
  <description>9-Octadecen-1-amine is an organic nitrogen compound with the chemical formula C18H37N and an average molecular weight of 267.50 g/mol. 9-Octadecen-1-amine belongs to the amines, a subclass of organonitrogen compounds within the organic compounds.

In industrial applications, the compound serves several roles, acting as an anti-static agent, an emulsifier, a dispersing agent, and a corrosion inhibitor. Additionally, it is used as a non-aqueous wetting agent. 

The compound is associated with 13 recorded sources across various sectors. Within electrical and electronic equipment, it is found in antennas, coils, cores yokes or armatures, gas filled discharge tubes with solid cathode, discharge tubes with liquid pool cathodes, and four other sources. In the building and construction sector, it is found in ceilings. Its presence is also recorded in household items such as coins and in household cleaning and consumer products, specifically pipe accessories. Furthermore, it is associated with the preparation of malt within food, food processing, and cookware.</description>
  <categories/>
  <types/>
  <synonyms>
    <synonym>(Z)-9-Octadecenylamine</synonym>
    <synonym>9-Octadecen-1-amine, (9Z)-</synonym>
    <synonym>Fatty acids, C18-unsatd., trimers, compds. with oleylamine</synonym>
    <synonym>Fatty acids, tall-oil, compds. with oleylamine</synonym>
  </synonyms>
  <chemical_formula>C18H37N</chemical_formula>
  <average_molecular_weight>267.501</average_molecular_weight>
  <monisotopic_moleculate_weight>267.292600195</monisotopic_moleculate_weight>
  <iupac_name>(9Z)-octadec-9-en-1-amine</iupac_name>
  <traditional_iupac>oleylamine</traditional_iupac>
  <cas_registry_number>112-90-3</cas_registry_number>
  <smiles>[H]\C(CCCCCCCC)=C(/[H])CCCCCCCCN</smiles>
  <inchi>InChI=1S/C18H37N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h9-10H,2-8,11-19H2,1H3/b10-9-</inchi>
  <inchikey>QGLWBTPVKHMVHM-KTKRTIGZSA-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/>
  </taxonomy>
  <status>Detected and Not Quantified</status>
  <origin/>
  <cellular_locations/>
  <biofluid_locations/>
  <tissue_locations/>
  <pathways/>
  <state/>
  <appearance/>
  <experimental_properties>
    <property>
      <kind>logp</kind>
      <value>7.6</value>
    </property>
  </experimental_properties>
  <predicted_properties>
    <property>
      <kind>logp</kind>
      <value>7.51</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logs</kind>
      <value>-6.83</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>solubility</kind>
      <value>3.99e-05 g/l</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logp</kind>
      <value>6.56</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>pka_strongest_basic</kind>
      <value>10.21</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>iupac</kind>
      <value>(9Z)-octadec-9-en-1-amine</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>average_mass</kind>
      <value>267.501</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>267.292600195</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>[H]\C(CCCCCCCC)=C(/[H])CCCCCCCCN</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C18H37N</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C18H37N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h9-10H,2-8,11-19H2,1H3/b10-9-</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>QGLWBTPVKHMVHM-KTKRTIGZSA-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>89.32</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>polarizability</kind>
      <value>37.56</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>rotatable_bond_count</kind>
      <value>15</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/>
  <mechanism_of_toxicity/>
  <metabolism/>
  <toxicity/>
  <lethaldose/>
  <carcinogenicity/>
  <use_source/>
  <min_risk_level/>
  <health_effects>#&lt;HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f7267523358&gt;</health_effects>
  <symptoms/>
  <treatment/>
  <drugbank_id/>
  <hmdb_id/>
  <pubchem_compound_id>5356789</pubchem_compound_id>
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</compound>
