<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2016-05-19 03:02:30 UTC</creation_date>
  <update_date>2026-08-23 07:55:47 UTC</update_date>
  <accession/>
  <common_name>N,N,N',N'-Tetrame ethylenediamine</common_name>
  <class>SmallMolecule</class>
  <description>N,N,N',N'-Tetrame ethylenediamine is an organic nitrogen compound with the formula C6H16N2 and an average molecular weight of 116.21 g/mol. N,N,N',N'-Tetrame ethylenediamine belongs to the amines, a subclass of organonitrogen compounds within the organic compounds. In industrial applications, this compound serves as a catalyst (PMC11707973).

The compound is associated with 32 recorded sources. Within the category of electrical and electronic equipment, it is found in antennas, adjustable resistors, auxiliary devices, communication cables or conductors, and conductors or conductive bodies characterised by the conductive materials, among 12 other sources. It is present in household cleaning and consumer products, including soap detergents, bleaching agents, perfumes within detergents and soaps, cigar cigarettes, and other smoking requisites. In the realm of food, food processing and cookware, it is linked to the processing of meats, food preservation, fermentation processes for beer, and the preparation of wort or wine and sparkling wine. Additionally, it is found in household items such as key rings, as well as building and construction materials including roofs, ladders, and tents or canopies.</description>
  <categories/>
  <types/>
  <synonyms>
    <synonym>N,N,N',N'-Tetramethylethylenediamine</synonym>
    <synonym>[2-(dimethylamino)ethyl]dimethylamine</synonym>
  </synonyms>
  <chemical_formula>C6H16N2</chemical_formula>
  <average_molecular_weight>116.208</average_molecular_weight>
  <monisotopic_moleculate_weight>116.131348523</monisotopic_moleculate_weight>
  <iupac_name>[2-(dimethylamino)ethyl]dimethylamine</iupac_name>
  <traditional_iupac>temed</traditional_iupac>
  <cas_registry_number>110-18-9</cas_registry_number>
  <smiles>CN(C)CCN(C)C</smiles>
  <inchi>InChI=1S/C6H16N2/c1-7(2)5-6-8(3)4/h5-6H2,1-4H3</inchi>
  <inchikey>KWYHDKDOAIKMQN-UHFFFAOYSA-N</inchikey>
  <taxonomy>
    <kingdom>Organic compounds</kingdom>
    <super_class>Organic nitrogen compounds</super_class>
    <class>Organonitrogen compounds</class>
    <sub_class>Amines</sub_class>
    <direct_parent>Trialkylamines</direct_parent>
    <alternate_parents>
      <alternative_parent>Hydrocarbon derivatives</alternative_parent>
      <alternative_parent>Organopnictogen compounds</alternative_parent>
    </alternate_parents>
    <substituents>
      <substituent>Aliphatic acyclic compound</substituent>
      <substituent>Hydrocarbon derivative</substituent>
      <substituent>Organopnictogen compound</substituent>
      <substituent>Tertiary aliphatic amine</substituent>
    </substituents>
    <molecular_framework>Aliphatic acyclic compounds</molecular_framework>
    <descriptors>
      <descriptor>ethylenediamine derivative</descriptor>
    </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>0.3</value>
    </property>
  </experimental_properties>
  <predicted_properties>
    <property>
      <kind>logp</kind>
      <value>0.33</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logs</kind>
      <value>0.69</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>solubility</kind>
      <value>5.69e+02 g/l</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logp</kind>
      <value>0.21</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>pka_strongest_basic</kind>
      <value>9.41</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>iupac</kind>
      <value>[2-(dimethylamino)ethyl]dimethylamine</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>average_mass</kind>
      <value>116.208</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>116.131348523</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>CN(C)CCN(C)C</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C6H16N2</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C6H16N2/c1-7(2)5-6-8(3)4/h5-6H2,1-4H3</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>KWYHDKDOAIKMQN-UHFFFAOYSA-N</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>polar_surface_area</kind>
      <value>6.48</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>refractivity</kind>
      <value>38.01</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>polarizability</kind>
      <value>14.87</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>rotatable_bond_count</kind>
      <value>3</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>acceptor_count</kind>
      <value>2</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>donor_count</kind>
      <value>0</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>physiological_charge</kind>
      <value>1</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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  <metabolism/>
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  <lethaldose/>
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  <use_source/>
  <min_risk_level/>
  <health_effects>#&lt;HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f3baff41540&gt;</health_effects>
  <symptoms/>
  <treatment/>
  <drugbank_id/>
  <hmdb_id/>
  <pubchem_compound_id>8037</pubchem_compound_id>
  <chembl_id/>
  <chemspider_id>7746</chemspider_id>
  <kegg_id/>
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  <wikipidia/>
  <general_references/>
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</compound>
