<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2026-04-06 09:33:36 UTC</creation_date>
  <update_date>2026-09-01 11:55:52 UTC</update_date>
  <accession/>
  <common_name>(2-Aminophenyl)methyl hydrogen sulfate</common_name>
  <class>SmallMolecule</class>
  <description>(2-Aminophenyl)methyl hydrogen sulfate is an organic compound with the chemical formula C7H9NO4S and an average molecular weight of 203.22 g/mol. (2-Aminophenyl)methyl hydrogen sulfate belongs to the aniline and substituted anilines, a subclass of benzene and substituted derivatives within the organic compounds.

This compound is found in or released from 13 recorded sources across several sectors. Within electrical and electronic equipment, it is associated with capacitors, batteries, cell phones, printed circuit boards, wires and cables, and one additional source. In the textiles, leather and furnishings sector, it is linked to carpets, rugs, and synthetic textiles. Other recorded sources include lubricants used in energy, oil and gas as well as industrial manufacturing and chemical processing, food packaging within the food, food processing and cookware sector, and medical devices from the healthcare, pharmaceuticals and veterinary products sector. One additional sector is also recorded as a source. Recorded exposure routes for this substance include oral, inhalation, and touch.</description>
  <categories/>
  <types>
    <type>PFAS</type>
  </types>
  <synonyms/>
  <chemical_formula>C7H9NO4S</chemical_formula>
  <average_molecular_weight/>
  <monisotopic_moleculate_weight>203.0252289</monisotopic_moleculate_weight>
  <iupac_name/>
  <traditional_iupac/>
  <cas_registry_number/>
  <smiles>C1=CC=C(C(=C1)COS(=O)(=O)O)N</smiles>
  <inchi>InChI=1S/C7H9NO4S/c8-7-4-2-1-3-6(7)5-12-13(9,10)11/h1-4H,5,8H2,(H,9,10,11)</inchi>
  <inchikey>XBOBNEOJIDFIIU-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>0</value>
    </property>
  </experimental_properties>
  <predicted_properties>
    <property>
      <kind>mono_mass</kind>
      <value>203.0252289</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>C1=CC=C(C(=C1)COS(=O)(=O)O)N</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C7H9NO4S</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C7H9NO4S/c8-7-4-2-1-3-6(7)5-12-13(9,10)11/h1-4H,5,8H2,(H,9,10,11)</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>XBOBNEOJIDFIIU-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/>
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  <symptoms/>
  <treatment/>
  <drugbank_id/>
  <hmdb_id/>
  <pubchem_compound_id>54460935</pubchem_compound_id>
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