<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2016-05-19 02:22:01 UTC</creation_date>
  <update_date>2026-05-14 18:26:16 UTC</update_date>
  <accession/>
  <common_name>PHENOL-FORMALDEHYDE, CROSS-LINKED, TRIETHYLENETETRAMINE &amp; TETRAETHYLENEPENTAMINE ACTIVATED</common_name>
  <class>SmallMolecule</class>
  <description>PHENOL-FORMALDEHYDE, CROSS-LINKED, TRIETHYLENETETRAMINE &amp; TETRAETHYLENEPENTAMINE ACTIVATED belongs to the amines, a subclass of organonitrogen compounds within the organic compounds. This organic nitrogen compound has the formula C6H18N4 and an average molecular weight of 146.23 g/mol. In industrial applications, it is used as a curing agent (PMC7764777) and as processing aids not otherwise specified (PMC7764777).

The compound is found in or released from 33 recorded sources. These include building and construction materials such as floors, ceilings, roofs, fencing, and stairs and ramps. It is present in household cleaning and consumer products, including soap detergents, bleaching agents, tobacco smoke filters, cigar cigarettes, and perfumes within detergents and soaps. Within food, food processing and cookware, it is associated with food preservation, processing meats, and fermentation processes for beer. It is also found in healthcare, pharmaceuticals and veterinary products, specifically alimentary tract and metabolism products. Additionally, it is released from electrical and electronic equipment, including communication cables or conductors, antennas, auxiliary devices, coils, and conductors or conductive bodies characterised by the conductive materials, among 14 other sources.

The recorded exposure route for this compound is oral. Regarding its biological activity, it is a recorded inhibitor of the protein target Carbonic anhydrase 14 (CA14).</description>
  <categories/>
  <types/>
  <synonyms>
    <synonym>Fatty acids, amides with triethylenetetramine (generic)</synonym>
    <synonym>Triethylene tetramine</synonym>
    <synonym>Triethylenetetraamine</synonym>
    <synonym>Triethylenetetramine</synonym>
  </synonyms>
  <chemical_formula>C6H18N4</chemical_formula>
  <average_molecular_weight>146.2339</average_molecular_weight>
  <monisotopic_moleculate_weight>146.153146596</monisotopic_moleculate_weight>
  <iupac_name>(2-aminoethyl)({2-[(2-aminoethyl)amino]ethyl})amine</iupac_name>
  <traditional_iupac>trien</traditional_iupac>
  <cas_registry_number>977083-15-0</cas_registry_number>
  <smiles>NCCNCCNCCN</smiles>
  <inchi>InChI=1S/C6H18N4/c7-1-3-9-5-6-10-4-2-8/h9-10H,1-8H2</inchi>
  <inchikey>VILCJCGEZXAXTO-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>Dialkylamines</direct_parent>
    <alternate_parents>
      <alternative_parent>Hydrocarbon derivatives</alternative_parent>
      <alternative_parent>Monoalkylamines</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>Primary aliphatic amine</substituent>
      <substituent>Primary amine</substituent>
      <substituent>Secondary aliphatic amine</substituent>
    </substituents>
    <molecular_framework>Aliphatic acyclic compounds</molecular_framework>
    <descriptors>
      <descriptor>polyazaalkane</descriptor>
      <descriptor>tetraamine</descriptor>
    </descriptors>
  </taxonomy>
  <status>Detected and Not Quantified</status>
  <origin/>
  <cellular_locations/>
  <biofluid_locations/>
  <tissue_locations/>
  <pathways>
    <pathway>
      <name>Triethylenetetramine Drug Metabolism Action Pathway</name>
      <smpdb_id>SMP0144156</smpdb_id>
      <kegg_map_id/>
    </pathway>
  </pathways>
  <state/>
  <appearance/>
  <experimental_properties>
    <property>
      <kind>logp</kind>
      <value>-2.2</value>
    </property>
  </experimental_properties>
  <predicted_properties>
    <property>
      <kind>logp</kind>
      <value>-1.84</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logs</kind>
      <value>-0.73</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>solubility</kind>
      <value>2.75e+01 g/l</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logp</kind>
      <value>-2.2</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>pka_strongest_basic</kind>
      <value>9.77</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>iupac</kind>
      <value>(2-aminoethyl)({2-[(2-aminoethyl)amino]ethyl})amine</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>average_mass</kind>
      <value>146.2339</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>146.153146596</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>NCCNCCNCCN</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C6H18N4</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C6H18N4/c7-1-3-9-5-6-10-4-2-8/h9-10H,1-8H2</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>VILCJCGEZXAXTO-UHFFFAOYSA-N</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>polar_surface_area</kind>
      <value>76.1</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>refractivity</kind>
      <value>43.32</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>polarizability</kind>
      <value>18.04</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>rotatable_bond_count</kind>
      <value>7</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>acceptor_count</kind>
      <value>4</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>donor_count</kind>
      <value>4</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>physiological_charge</kind>
      <value>3</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/>
  <toxicity/>
  <lethaldose/>
  <carcinogenicity/>
  <use_source/>
  <min_risk_level/>
  <health_effects>#&lt;HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f72675b7940&gt;</health_effects>
  <symptoms/>
  <treatment/>
  <drugbank_id>DB06824</drugbank_id>
  <hmdb_id/>
  <pubchem_compound_id>5565</pubchem_compound_id>
  <chembl_id/>
  <chemspider_id>12114</chemspider_id>
  <kegg_id/>
  <uniprot_id/>
  <omim_id/>
  <chebi_id/>
  <biocyc_id/>
  <ctd_id/>
  <stitch_id/>
  <actor_id/>
  <pdb_id/>
  <wikipidia/>
  <general_references/>
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</compound>
