<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2026-04-06 10:45:51 UTC</creation_date>
  <update_date>2026-08-23 17:36:16 UTC</update_date>
  <accession/>
  <common_name>Acrylamide, N-[(3-bromopropionamido)methyl]- (8CI)</common_name>
  <class>SmallMolecule</class>
  <description>Acrylamide, N-[(3-bromopropionamido)methyl]- (8CI) is an organic compound with the formula C7H11Br1N2O2 and an average molecular weight of 235.08 g/mol. Acrylamide, N-[(3-bromopropionamido)methyl]- (8CI) belongs to the acrylic acids and derivatives, a subclass of carboxylic acids and derivatives within the organic compounds.

This substance is found in or released from 11 recorded sources across various sectors. Within the category of electrical and electronic equipment, it is associated with antennas, magnets, sparking plugs, fixed capacitors and their manufacture, and electrically stimulated smoking devices. In the realm of food, food processing and cookware, the compound is linked to the processing of meats, the treatment of hops, and the preparation of wort, wine, or sparkling wine. Additionally, it is found in building and construction materials, specifically ceilings, as well as in household cleaning and consumer products such as bleaching agents.</description>
  <categories/>
  <types/>
  <synonyms/>
  <chemical_formula>C7H11Br1N2O2</chemical_formula>
  <average_molecular_weight>235.081</average_molecular_weight>
  <monisotopic_moleculate_weight>234.0003905</monisotopic_moleculate_weight>
  <iupac_name/>
  <traditional_iupac/>
  <cas_registry_number>4213-51-8</cas_registry_number>
  <smiles>BrCCC(=O)NCNC(=O)C=C</smiles>
  <inchi>InChI=1S/C7H11BrN2O2/c1-2-6(11)9-5-10-7(12)3-4-8/h2H,1,3-5H2,(H,9,11)(H,10,12)</inchi>
  <inchikey>CDOUZKKFHVEKRI-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>0.2</value>
    </property>
  </experimental_properties>
  <predicted_properties>
    <property>
      <kind>average_mass</kind>
      <value>235.081</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>234.0003905</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>BrCCC(=O)NCNC(=O)C=C</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C7H11Br1N2O2</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C7H11BrN2O2/c1-2-6(11)9-5-10-7(12)3-4-8/h2H,1,3-5H2,(H,9,11)(H,10,12)</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>CDOUZKKFHVEKRI-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:0x00007f3bf02a7f00&gt;</health_effects>
  <symptoms/>
  <treatment/>
  <drugbank_id>DB19597</drugbank_id>
  <hmdb_id/>
  <pubchem_compound_id>20195</pubchem_compound_id>
  <chembl_id/>
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  <kegg_id/>
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  <biocyc_id/>
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  <wikipidia/>
  <general_references/>
  <targets>
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</compound>
