<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2026-08-30 13:22:34 UTC</creation_date>
  <update_date>2026-08-30 13:22:34 UTC</update_date>
  <accession/>
  <common_name>10-(2-chloro-4-methoxyphenyl)-11-methyl-n-pentan-3-yl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-amine</common_name>
  <class>SmallMolecule</class>
  <description>10-(2-chloro-4-methoxyphenyl)-11-methyl-n-pentan-3-yl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-amine is a chemical compound with the formula C22H27ClN4O and an average molecular weight of 398.90 g/mol. It has been identified in or released from one recorded source: electrical and electronic equipment, specifically superconducting magnets and superconducting coils.</description>
  <categories/>
  <types/>
  <synonyms/>
  <chemical_formula>C22H27ClN4O</chemical_formula>
  <average_molecular_weight/>
  <monisotopic_moleculate_weight>398.1873392</monisotopic_moleculate_weight>
  <iupac_name/>
  <traditional_iupac/>
  <cas_registry_number>441060-02-2</cas_registry_number>
  <smiles>CCC(CC)NC1=C2CCCC2=NC3=C(C(=NN31)C)C4=C(C=C(C=C4)OC)Cl</smiles>
  <inchi>InChI=1S/C22H27ClN4O/c1-5-14(6-2)24-21-17-8-7-9-19(17)25-22-20(13(3)26-27(21)22)16-11-10-15(28-4)12-18(16)23/h10-12,14,24H,5-9H2,1-4H3</inchi>
  <inchikey>LDIOUQIXNSSOGU-UHFFFAOYSA-N</inchikey>
  <taxonomy>
    <kingdom/>
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    <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>5.8</value>
    </property>
  </experimental_properties>
  <predicted_properties>
    <property>
      <kind>mono_mass</kind>
      <value>398.1873392</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>CCC(CC)NC1=C2CCCC2=NC3=C(C(=NN31)C)C4=C(C=C(C=C4)OC)Cl</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C22H27ClN4O</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C22H27ClN4O/c1-5-14(6-2)24-21-17-8-7-9-19(17)25-22-20(13(3)26-27(21)22)16-11-10-15(28-4)12-18(16)23/h10-12,14,24H,5-9H2,1-4H3</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>LDIOUQIXNSSOGU-UHFFFAOYSA-N</value>
      <source>ChemAxon</source>
    </property>
  </predicted_properties>
  <route_of_exposure/>
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  <metabolism/>
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  <lethaldose/>
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  <use_source/>
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  <symptoms/>
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  <drugbank_id/>
  <hmdb_id/>
  <pubchem_compound_id>9801039</pubchem_compound_id>
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  <wikipidia/>
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