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<compound>
  <version>1.0</version>
  <creation_date>2026-04-05 08:11:25 UTC</creation_date>
  <update_date>2026-04-05 08:11:25 UTC</update_date>
  <accession/>
  <common_name>2,2-Dimethylpentane-1,5-diyl diisocyanate</common_name>
  <class>SmallMolecule</class>
  <description>2,2-Dimethylpentane-1,5-diyl diisocyanate is an organic nitrogen compound with the formula C9H14N2O2 and an average molecular weight of 182.22 g/mol. 2,2-Dimethylpentane-1,5-diyl diisocyanate belongs to the isocyanates, a subclass of organonitrogen compounds within the organic compounds. This substance is identified as being found in or released from one recorded source: Electrical &amp; Electronic Equipment (Superconducting Magnets And Superconducting Coils).</description>
  <categories/>
  <types/>
  <synonyms/>
  <chemical_formula>C9H14N2O2</chemical_formula>
  <average_molecular_weight>182.223</average_molecular_weight>
  <monisotopic_moleculate_weight>182.1055277</monisotopic_moleculate_weight>
  <iupac_name/>
  <traditional_iupac/>
  <cas_registry_number>93859-12-2</cas_registry_number>
  <smiles>CC(C)(CCCN=C=O)CN=C=O</smiles>
  <inchi>InChI=1/C9H14N2O2/c1-9(2,6-11-8-13)4-3-5-10-7-12/h3-6H2,1-2H3</inchi>
  <inchikey>OUJCKESIGPLCRN-UHFFFAOYSA-N</inchikey>
  <taxonomy>
    <kingdom/>
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  </taxonomy>
  <status>Detected and Not Quantified</status>
  <origin/>
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    <property>
      <kind>average_mass</kind>
      <value>182.223</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>182.1055277</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>CC(C)(CCCN=C=O)CN=C=O</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C9H14N2O2</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1/C9H14N2O2/c1-9(2,6-11-8-13)4-3-5-10-7-12/h3-6H2,1-2H3</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>OUJCKESIGPLCRN-UHFFFAOYSA-N</value>
      <source>ChemAxon</source>
    </property>
  </predicted_properties>
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  <pubchem_compound_id>20575617</pubchem_compound_id>
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