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<compound>
  <version>1.0</version>
  <creation_date>2026-08-30 08:19:28 UTC</creation_date>
  <update_date>2026-08-30 08:19:28 UTC</update_date>
  <accession/>
  <common_name>2-(1,2,3,6,7,8-hexahydropyren-4-ylmethylamino)-2-methylpropane-1,3-diol</common_name>
  <class>SmallMolecule</class>
  <description>2-(1,2,3,6,7,8-hexahydropyren-4-ylmethylamino)-2-methylpropane-1,3-diol is a chemical compound with the formula C21H27NO2. It has an average molecular weight of 325.40 g/mol.</description>
  <categories/>
  <types/>
  <synonyms/>
  <chemical_formula>C21H27NO2</chemical_formula>
  <average_molecular_weight/>
  <monisotopic_moleculate_weight>325.2041791</monisotopic_moleculate_weight>
  <iupac_name/>
  <traditional_iupac/>
  <cas_registry_number/>
  <smiles>CC(CO)(CO)NCC1=C2CCCC3=C2C4=C(CCCC4=C1)C=C3</smiles>
  <inchi>InChI=1S/C21H27NO2/c1-21(12-23,13-24)22-11-17-10-16-6-2-4-14-8-9-15-5-3-7-18(17)20(15)19(14)16/h8-10,22-24H,2-7,11-13H2,1H3</inchi>
  <inchikey>IIOIROZSDQTPDC-UHFFFAOYSA-N</inchikey>
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    <sub_class/>
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  </taxonomy>
  <status>Detected and Not Quantified</status>
  <origin/>
  <cellular_locations/>
  <biofluid_locations/>
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  <experimental_properties>
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      <kind>logp</kind>
      <value>3.1</value>
    </property>
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      <kind>mono_mass</kind>
      <value>325.2041791</value>
      <source>ChemAxon</source>
    </property>
    <property>
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      <value>CC(CO)(CO)NCC1=C2CCCC3=C2C4=C(CCCC4=C1)C=C3</value>
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    </property>
    <property>
      <kind>formula</kind>
      <value>C21H27NO2</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C21H27NO2/c1-21(12-23,13-24)22-11-17-10-16-6-2-4-14-8-9-15-5-3-7-18(17)20(15)19(14)16/h8-10,22-24H,2-7,11-13H2,1H3</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>IIOIROZSDQTPDC-UHFFFAOYSA-N</value>
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    </property>
  </predicted_properties>
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  <pubchem_compound_id>149679</pubchem_compound_id>
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