<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2016-06-03 11:49:30 UTC</creation_date>
  <update_date>2026-08-18 12:13:37 UTC</update_date>
  <accession/>
  <common_name>2,4-Diamino-3,5-diethyltoluene</common_name>
  <class>SmallMolecule</class>
  <description>2,4-Diamino-3,5-diethyltoluene is an organic compound with the chemical formula C11H18N2 and an average molecular weight of 178.28 g/mol. 2,4-Diamino-3,5-diethyltoluene belongs to the toluenes, a subclass of benzene and substituted derivatives within the organic compounds.

The compound is found in or released from 11 recorded sources. Within the category of electrical and electronic equipment, it is associated with antennas, auxiliary devices, cores yokes or armatures, magnets, superconducting magnets and superconducting coils, and one additional source. It is also identified in building and construction materials, specifically in ceilings, fencing, roofs, stairs and ramps. Additionally, it is found 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>2,4-diethyl-6-methylbenzene-1,3-diamine</iupac_name>
  <traditional_iupac>2,4-diethyl-6-methylbenzene-1,3-diamine</traditional_iupac>
  <cas_registry_number>2095-02-5</cas_registry_number>
  <smiles>CCC1=C(N)C(CC)=C(N)C(C)=C1</smiles>
  <inchi>InChI=1S/C11H18N2/c1-4-8-6-7(3)10(12)9(5-2)11(8)13/h6H,4-5,12-13H2,1-3H3</inchi>
  <inchikey>PISLZQACAJMAIO-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>2.19</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logs</kind>
      <value>-2.23</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>solubility</kind>
      <value>1.05e+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>5.15</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>iupac</kind>
      <value>2,4-diethyl-6-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=C(N)C(CC)=C(N)C(C)=C1</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C11H18N2</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C11H18N2/c1-4-8-6-7(3)10(12)9(5-2)11(8)13/h6H,4-5,12-13H2,1-3H3</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>PISLZQACAJMAIO-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>21.62</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/>
  <mechanism_of_toxicity/>
  <metabolism/>
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  <lethaldose/>
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  <use_source/>
  <min_risk_level/>
  <health_effects>#&lt;HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f3bf320af18&gt;</health_effects>
  <symptoms/>
  <treatment/>
  <drugbank_id/>
  <hmdb_id/>
  <pubchem_compound_id>74980</pubchem_compound_id>
  <chembl_id/>
  <chemspider_id>67535</chemspider_id>
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</compound>
