<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2026-08-18 18:15:49 UTC</creation_date>
  <update_date>2026-08-18 18:15:49 UTC</update_date>
  <accession/>
  <common_name>2-(2,4-dinitroanilino)-4-methylpentanoic acid</common_name>
  <class>SmallMolecule</class>
  <description>2-(2,4-dinitroanilino)-4-methylpentanoic acid is an organic compound with the chemical formula C12H15N3O6 and an average molecular weight of 297.26 g/mol. 2-(2,4-dinitroanilino)-4-methylpentanoic acid belongs to the amino acids, peptides, and analogues, a subclass of carboxylic acids and derivatives within the organic compounds.

This compound has been identified in or released from 21 recorded sources across several sectors. In the category of electrical and electronic equipment, it is associated with antennas, coils, adjustable resistors, communication cables or conductors, and cores yokes or armatures, among 10 other sources. Within building and construction, it is found in relation to roofs, fencing, and stairs and ramps. Additionally, the compound is linked to food, food processing and cookware, specifically the processing of meats and the preparation of wine or sparkling wine. It has also been recorded in household cleaning and consumer products, specifically tobacco product cases.</description>
  <categories/>
  <types/>
  <synonyms/>
  <chemical_formula>C12H15N3O6</chemical_formula>
  <average_molecular_weight>297.26</average_molecular_weight>
  <monisotopic_moleculate_weight>297.0960852</monisotopic_moleculate_weight>
  <iupac_name/>
  <traditional_iupac/>
  <cas_registry_number>10484-03-4</cas_registry_number>
  <smiles/>
  <inchi>InChI=1S/C12H15N3O6/c1-7(2)5-10(12(16)17)13-9-4-3-8(14(18)19)6-11(9)15(20)21/h3-4,6-7,10,13H,5H2,1-2H3,(H,16,17)</inchi>
  <inchikey>STMDPCBYJCIZOD-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>3.4</value>
    </property>
  </experimental_properties>
  <predicted_properties>
    <property>
      <kind>average_mass</kind>
      <value>297.26</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>297.0960852</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C12H15N3O6</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C12H15N3O6/c1-7(2)5-10(12(16)17)13-9-4-3-8(14(18)19)6-11(9)15(20)21/h3-4,6-7,10,13H,5H2,1-2H3,(H,16,17)</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>STMDPCBYJCIZOD-UHFFFAOYSA-N</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:0x00007f3bb3bd7d10&gt;</health_effects>
  <symptoms/>
  <treatment/>
  <drugbank_id/>
  <hmdb_id/>
  <pubchem_compound_id>112121</pubchem_compound_id>
  <chembl_id/>
  <chemspider_id/>
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  <biocyc_id/>
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  <wikipidia/>
  <general_references/>
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</compound>
