<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2016-06-03 11:49:26 UTC</creation_date>
  <update_date>2026-08-18 12:13:38 UTC</update_date>
  <accession/>
  <common_name>4,6-diethyl-2-methylbenzene-1,3-diamine</common_name>
  <class>SmallMolecule</class>
  <description>4,6-diethyl-2-methylbenzene-1,3-diamine is an organic compound with the chemical formula C11H18N2 and an average molecular weight of 178.28 g/mol. 4,6-diethyl-2-methylbenzene-1,3-diamine belongs to the toluenes, a subclass of benzene and substituted derivatives within the organic compounds. Within the broader chemical hierarchy, it is classified under the superclass of benzenoids.

The compound is associated with seven recorded sources of presence or release. In the category of electrical and electronic equipment, it is found in antennas, coils, magnets, thin magnetic films, and communication cables or conductors. Additionally, it has been identified in building and construction materials, specifically in roofs, as well as in household items such as coins.</description>
  <categories/>
  <types/>
  <synonyms/>
  <chemical_formula>C11H18N2</chemical_formula>
  <average_molecular_weight>178.279</average_molecular_weight>
  <monisotopic_moleculate_weight>178.146998588</monisotopic_moleculate_weight>
  <iupac_name>4,6-diethyl-2-methylbenzene-1,3-diamine</iupac_name>
  <traditional_iupac>4,6-diethyl-2-methylbenzene-1,3-diamine</traditional_iupac>
  <cas_registry_number>2095-01-4</cas_registry_number>
  <smiles>CCC1=CC(CC)=C(N)C(C)=C1N</smiles>
  <inchi>InChI=1S/C11H18N2/c1-4-8-6-9(5-2)11(13)7(3)10(8)12/h6H,4-5,12-13H2,1-3H3</inchi>
  <inchikey>RQEOBXYYEPMCPJ-UHFFFAOYSA-N</inchikey>
  <taxonomy>
    <kingdom>Organic compounds</kingdom>
    <super_class>Benzenoids</super_class>
    <class>Benzene and substituted derivatives</class>
    <sub_class>Toluenes</sub_class>
    <direct_parent>Diaminotoluenes</direct_parent>
    <alternate_parents>
      <alternative_parent>Aniline and substituted anilines</alternative_parent>
      <alternative_parent>Hydrocarbon derivatives</alternative_parent>
      <alternative_parent>Organopnictogen compounds</alternative_parent>
      <alternative_parent>Primary amines</alternative_parent>
    </alternate_parents>
    <substituents>
      <substituent>Amine</substituent>
      <substituent>Aniline or substituted anilines</substituent>
      <substituent>Aromatic homomonocyclic compound</substituent>
      <substituent>Diaminotoluene</substituent>
      <substituent>Hydrocarbon derivative</substituent>
      <substituent>Organic nitrogen compound</substituent>
      <substituent>Organonitrogen compound</substituent>
      <substituent>Organopnictogen compound</substituent>
      <substituent>Primary amine</substituent>
    </substituents>
    <molecular_framework>Aromatic homomonocyclic compounds</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>2.5</value>
    </property>
  </experimental_properties>
  <predicted_properties>
    <property>
      <kind>logp</kind>
      <value>2.22</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logs</kind>
      <value>-2.24</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>solubility</kind>
      <value>1.03e+00 g/l</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logp</kind>
      <value>2.74</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>pka_strongest_basic</kind>
      <value>5.16</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>iupac</kind>
      <value>4,6-diethyl-2-methylbenzene-1,3-diamine</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>average_mass</kind>
      <value>178.279</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>178.146998588</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>CCC1=CC(CC)=C(N)C(C)=C1N</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C11H18N2</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C11H18N2/c1-4-8-6-9(5-2)11(13)7(3)10(8)12/h6H,4-5,12-13H2,1-3H3</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>RQEOBXYYEPMCPJ-UHFFFAOYSA-N</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>polar_surface_area</kind>
      <value>52.04</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>refractivity</kind>
      <value>59.78</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>polarizability</kind>
      <value>21.6</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>rotatable_bond_count</kind>
      <value>2</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>acceptor_count</kind>
      <value>2</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>donor_count</kind>
      <value>2</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>physiological_charge</kind>
      <value>0</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formal_charge</kind>
      <value>0</value>
      <source>ChemAxon</source>
    </property>
  </predicted_properties>
  <route_of_exposure/>
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  <symptoms/>
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  <drugbank_id/>
  <hmdb_id/>
  <pubchem_compound_id>74979</pubchem_compound_id>
  <chembl_id/>
  <chemspider_id>67534</chemspider_id>
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</compound>
