<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2026-04-04 03:29:49 UTC</creation_date>
  <update_date>2026-08-21 18:08:45 UTC</update_date>
  <accession/>
  <common_name>Cyclohexanone, 2,6-bis[(4-azidophenyl)methylene]-4-methyl-</common_name>
  <class>SmallMolecule</class>
  <description>Cyclohexanone, 2,6-bis[(4-azidophenyl)methylene]-4-methyl- is an organic compound with the formula C19H21N3O2 and an average molecular weight of 370.42 g/mol. Cyclohexanone, 2,6-bis[(4-azidophenyl)methylene]-4-methyl- belongs to the linear diarylheptanoids, a subclass of diarylheptanoids within the organic compounds.

This substance is associated with three recorded sources related to electrical and electronic equipment. These sources include superconducting magnets and superconducting coils, gas filled discharge tubes with solid cathode, and discharge lamps.</description>
  <categories/>
  <types/>
  <synonyms>
    <synonym>2,6-BIS((4-AZIDOPHENYL)METHYLENE)-4-METHYLCYCLOHEXANONE</synonym>
    <synonym>2,6-bis(4-azidobenzylidene)-4-methylcyclohexan-1-one</synonym>
    <synonym>2,6-Bis(4-azidobenzylidene)-4-methylcyclohexanone</synonym>
    <synonym>2,6-di(4-azidobenzal)-4-methylcyclohexanone</synonym>
    <synonym>226-117-9</synonym>
    <synonym>Cyclohexanone, 2,6-bis[(4-azidophenyl)methylene]-4-methyl-</synonym>
  </synonyms>
  <chemical_formula>C19H21N3O2</chemical_formula>
  <average_molecular_weight>370.416</average_molecular_weight>
  <monisotopic_moleculate_weight>323.163377</monisotopic_moleculate_weight>
  <iupac_name/>
  <traditional_iupac/>
  <cas_registry_number>5284-79-7</cas_registry_number>
  <smiles>CC1CC(=CC2=CC=C(C=C2)N=[N+]=[N-])C(=O)C(C1)=CC1=CC=C(C=C1)N=[N+]=[N-]</smiles>
  <inchi>InChI=1S/C19H21N3O2/c1-19(2)12-14-6-4-5-7-16(14)17(20-19)21-22-18(23)13-8-10-15(24-3)11-9-13/h4-11H,12H2,1-3H3,(H,20,21)(H,22,23)</inchi>
  <inchikey>MLIWQXBKMZNZNF-UHFFFAOYSA-N</inchikey>
  <taxonomy>
    <kingdom/>
    <super_class/>
    <class/>
    <sub_class/>
    <direct_parent/>
    <alternate_parents/>
    <substituents/>
    <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>7.2</value>
    </property>
  </experimental_properties>
  <predicted_properties>
    <property>
      <kind>average_mass</kind>
      <value>370.416</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>323.163377</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>CC1CC(=CC2=CC=C(C=C2)N=[N+]=[N-])C(=O)C(C1)=CC1=CC=C(C=C1)N=[N+]=[N-]</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C19H21N3O2</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C19H21N3O2/c1-19(2)12-14-6-4-5-7-16(14)17(20-19)21-22-18(23)13-8-10-15(24-3)11-9-13/h4-11H,12H2,1-3H3,(H,20,21)(H,22,23)</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>MLIWQXBKMZNZNF-UHFFFAOYSA-N</value>
      <source>ChemAxon</source>
    </property>
  </predicted_properties>
  <route_of_exposure/>
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  <metabolism/>
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  <lethaldose/>
  <carcinogenicity/>
  <use_source/>
  <min_risk_level/>
  <health_effects>#&lt;HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f7227a719a8&gt;</health_effects>
  <symptoms/>
  <treatment/>
  <drugbank_id/>
  <hmdb_id/>
  <pubchem_compound_id>79167</pubchem_compound_id>
  <chembl_id/>
  <chemspider_id>71497</chemspider_id>
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</compound>
