<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2016-05-19 03:48:26 UTC</creation_date>
  <update_date>2026-08-22 00:26:43 UTC</update_date>
  <accession/>
  <common_name>2,2'-((5-Acetamido-4-((2-chloro-4,6-dinitrophenyl)azo)-2-methoxyphenyl)imino)diethyl diacetate</common_name>
  <class>SmallMolecule</class>
  <description>2,2'-((5-Acetamido-4-((2-chloro-4,6-dinitrophenyl)azo)-2-methoxyphenyl)imino)diethyl diacetate belongs to the azobenzenes, a class of organoheterocyclic compounds within the organic compounds. With an average molecular weight of 580.90 g/mol, 2,2'-((5-Acetamido-4-((2-chloro-4,6-dinitrophenyl)azo)-2-methoxyphenyl)imino)diethyl diacetate is a heavy molecule. This compound is characterized by the chemical formula C23H25ClN6O10.

The compound has been found in or released from 19 recorded sources across multiple sectors. Within aquatic systems and sediments, it is present in groundwater, surface water, seawater, and freshwater. It is also detected in drinking water and water supply sources, including tap water, bottled water, and desalinated water. In the sector of wastewater, sanitation, and biosolids, the compound is found in industrial wastewater, mine wastewater, unspecified wastewater, and wastewater treatment effluent. Additionally, it has been identified in appliances, HVAC, and refrigerants, specifically in water heaters and water coolers. Its presence is further noted in marine, shipping, and aquaculture sources, such as bilge water and ballast water, as well as in agriculture and land management via irrigation water. Two other sectors have also been recorded. Recorded exposure routes for this substance include inhalation, oral, and touch.</description>
  <categories/>
  <types>
    <type>PMT</type>
  </types>
  <synonyms/>
  <chemical_formula>C23H25ClN6O10</chemical_formula>
  <average_molecular_weight>580.9</average_molecular_weight>
  <monisotopic_moleculate_weight>580.1320687</monisotopic_moleculate_weight>
  <iupac_name/>
  <traditional_iupac/>
  <cas_registry_number>3618-73-3</cas_registry_number>
  <smiles>CC(=O)NC1=CC(=C(C=C1N=NC2=C(C=C(C=C2Cl)[N+](=O)[O-])[N+](=O)[O-])OC)N(CCOC(=O)C)CCOC(=O)C</smiles>
  <inchi>InChI=1S/C23H25ClN6O10/c1-13(31)25-18-11-20(28(5-7-39-14(2)32)6-8-40-15(3)33)22(38-4)12-19(18)26-27-23-17(24)9-16(29(34)35)10-21(23)30(36)37/h9-12H,5-8H2,1-4H3,(H,25,31)</inchi>
  <inchikey>VRTQJBZLCYJJCI-UHFFFAOYSA-N</inchikey>
  <taxonomy>
    <kingdom/>
    <super_class/>
    <class/>
    <sub_class/>
    <direct_parent/>
    <alternate_parents/>
    <substituents/>
    <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>3</value>
    </property>
  </experimental_properties>
  <predicted_properties>
    <property>
      <kind>average_mass</kind>
      <value>580.9</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>580.1320687</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>CC(=O)NC1=CC(=C(C=C1N=NC2=C(C=C(C=C2Cl)[N+](=O)[O-])[N+](=O)[O-])OC)N(CCOC(=O)C)CCOC(=O)C</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C23H25ClN6O10</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C23H25ClN6O10/c1-13(31)25-18-11-20(28(5-7-39-14(2)32)6-8-40-15(3)33)22(38-4)12-19(18)26-27-23-17(24)9-16(29(34)35)10-21(23)30(36)37/h9-12H,5-8H2,1-4H3,(H,25,31)</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>VRTQJBZLCYJJCI-UHFFFAOYSA-N</value>
      <source>ChemAxon</source>
    </property>
  </predicted_properties>
  <route_of_exposure/>
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  <metabolism/>
  <toxicity/>
  <lethaldose/>
  <carcinogenicity/>
  <use_source/>
  <min_risk_level/>
  <health_effects>#&lt;HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f727bce9d80&gt;</health_effects>
  <symptoms/>
  <treatment/>
  <drugbank_id/>
  <hmdb_id/>
  <pubchem_compound_id>77173</pubchem_compound_id>
  <chembl_id/>
  <chemspider_id>69606</chemspider_id>
  <kegg_id/>
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  <chebi_id/>
  <biocyc_id/>
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  <wikipidia/>
  <general_references/>
  <targets>
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</compound>
