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<compound>
  <version>1.0</version>
  <creation_date>2026-04-05 00:31:14 UTC</creation_date>
  <update_date>2026-04-05 00:31:14 UTC</update_date>
  <accession/>
  <common_name>1,3-Diisocyanato-2-methylcyclohexane</common_name>
  <class>SmallMolecule</class>
  <description>1,3-Diisocyanato-2-methylcyclohexane is an organic compound with the chemical formula C9H12N2O2 and an average molecular weight of 180.21 g/mol. 1,3-Diisocyanato-2-methylcyclohexane belongs to the isocyanates, a subclass of organonitrogen compounds within the organic compounds. It is further classified as part of the organic nitrogen compounds superclass and the organonitrogen compounds class.

This substance is found in or released from seven recorded sources. Within the category of electrical and electronic equipment, it is associated with antennas, cores yokes or armatures, discharge lamps, and television systems. In the context of building and construction, it is found in floors and roofs. Additionally, it has been recorded in household items, specifically coins.</description>
  <categories/>
  <types/>
  <synonyms/>
  <chemical_formula>C9H12N2O2</chemical_formula>
  <average_molecular_weight>180.207</average_molecular_weight>
  <monisotopic_moleculate_weight>180.0898776</monisotopic_moleculate_weight>
  <iupac_name/>
  <traditional_iupac/>
  <cas_registry_number>13912-56-6</cas_registry_number>
  <smiles>CC1C(CCCC1N=C=O)N=C=O</smiles>
  <inchi>InChI=1/C9H12N2O2/c1-7-8(10-5-12)3-2-4-9(7)11-6-13/h7-9H,2-4H2,1H3</inchi>
  <inchikey>OHTRJOZKRSVAOX-UHFFFAOYSA-N</inchikey>
  <taxonomy>
    <kingdom/>
    <super_class/>
    <class/>
    <sub_class/>
    <direct_parent/>
    <alternate_parents/>
    <substituents/>
    <molecular_framework/>
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  </taxonomy>
  <status>Detected and Not Quantified</status>
  <origin/>
  <cellular_locations/>
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  <state/>
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  <predicted_properties>
    <property>
      <kind>average_mass</kind>
      <value>180.207</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>180.0898776</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>CC1C(CCCC1N=C=O)N=C=O</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C9H12N2O2</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1/C9H12N2O2/c1-7-8(10-5-12)3-2-4-9(7)11-6-13/h7-9H,2-4H2,1H3</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>OHTRJOZKRSVAOX-UHFFFAOYSA-N</value>
      <source>ChemAxon</source>
    </property>
  </predicted_properties>
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  <pubchem_compound_id>85656</pubchem_compound_id>
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