<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2026-04-03 14:41:16 UTC</creation_date>
  <update_date>2026-04-03 14:41:16 UTC</update_date>
  <accession/>
  <common_name>(2H7)Aniline</common_name>
  <class>SmallMolecule</class>
  <description>(2H7)Aniline belongs to the benzene and substituted derivatives, a class of benzenoids within the organic compounds. This compound has the chemical formula C6D7N1 and an average molecular weight of 100.17 g/mol. It has been identified as being found in or released from one recorded source: electrical and electronic equipment, specifically gas filled discharge tubes with solid cathode.</description>
  <categories/>
  <types/>
  <synonyms>
    <synonym>(2H7)Aniline</synonym>
    <synonym>(~2~H_7_)Aniline</synonym>
    <synonym>Aminobenzene, Phenylamine</synonym>
    <synonym>aniline in which all hydrogens have been replaced by deuterium. If you want data on ormau000du000al aniline</synonym>
    <synonym>Aniline-d7</synonym>
    <synonym>Aniline-D7 &gt;98 Atom % D</synonym>
    <synonym>Benzen-2,3,4,5,6-d5-amine-d2</synonym>
    <synonym>Benzen-d_5_-amine-d_2_</synonym>
    <synonym>N,N,2,3,4,5,6-heptadeuterioaniline</synonym>
    <synonym>perdeuteroaniline</synonym>
  </synonyms>
  <chemical_formula>C6D7N1</chemical_formula>
  <average_molecular_weight>100.172</average_molecular_weight>
  <monisotopic_moleculate_weight>100.101786</monisotopic_moleculate_weight>
  <iupac_name/>
  <traditional_iupac/>
  <cas_registry_number>14545-23-4</cas_registry_number>
  <smiles>[2H]N([2H])C1=C([2H])C([2H])=C([2H])C([2H])=C1[2H]</smiles>
  <inchi>InChI=1S/C6H7N/c7-6-4-2-1-3-5-6/h1-5H,7H2/i1D,2D,3D,4D,5D/hD2</inchi>
  <inchikey>PAYRUJLWNCNPSJ-LQHBDRBESA-N</inchikey>
  <taxonomy>
    <kingdom>Organic compounds</kingdom>
    <super_class>Benzenoids</super_class>
    <class>Benzene and substituted derivatives</class>
    <sub_class/>
    <direct_parent>Benzene and substituted derivatives</direct_parent>
    <alternate_parents>
      <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>Aromatic homomonocyclic compound</substituent>
      <substituent>Hydrocarbon derivative</substituent>
      <substituent>Monocyclic benzene moiety</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/>
  <predicted_properties>
    <property>
      <kind>average_mass</kind>
      <value>100.172</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>100.101786</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>[2H]N([2H])C1=C([2H])C([2H])=C([2H])C([2H])=C1[2H]</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C6D7N1</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C6H7N/c7-6-4-2-1-3-5-6/h1-5H,7H2/i1D,2D,3D,4D,5D/hD2</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>PAYRUJLWNCNPSJ-LQHBDRBESA-N</value>
      <source>ChemAxon</source>
    </property>
  </predicted_properties>
  <route_of_exposure/>
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  <use_source/>
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  <symptoms/>
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  <drugbank_id/>
  <hmdb_id/>
  <pubchem_compound_id>2733418</pubchem_compound_id>
  <chembl_id/>
  <chemspider_id>2015217</chemspider_id>
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</compound>
