<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2016-05-19 04:06:58 UTC</creation_date>
  <update_date>2026-08-23 01:17:06 UTC</update_date>
  <accession/>
  <common_name>2-Aminomethylfuran</common_name>
  <class>SmallMolecule</class>
  <description>2-Aminomethylfuran is an organic nitrogen compound with the chemical formula C5H7NO and an average molecular weight of 97.12 g/mol. 2-Aminomethylfuran belongs to the amines, a subclass of organonitrogen compounds within the organic compounds.

This compound has been identified in or released from seven recorded sources. These include household cleaning and consumer products, specifically soap detergents and perfumes within detergents and soaps. It is also found in drinking water and water supply systems, as well as in food, food processing and cookware, specifically regarding food preservation. Additionally, the compound is associated with electrical and electronic equipment, including hybrid capacitors, electrodes, and conductors or conductive bodies characterised by the conductive materials. The recorded route of exposure for 2-Aminomethylfuran is oral.</description>
  <categories/>
  <types/>
  <synonyms>
    <synonym>(furan-2-yl)methanamine</synonym>
    <synonym>Furfurylamine</synonym>
    <synonym>furfurylamine</synonym>
  </synonyms>
  <chemical_formula>C5H7NO</chemical_formula>
  <average_molecular_weight>97.117</average_molecular_weight>
  <monisotopic_moleculate_weight>97.052763849</monisotopic_moleculate_weight>
  <iupac_name>(furan-2-yl)methanamine</iupac_name>
  <traditional_iupac>furfurylamine</traditional_iupac>
  <cas_registry_number>617-89-0</cas_registry_number>
  <smiles>NCC1=CC=CO1</smiles>
  <inchi>InChI=1S/C5H7NO/c6-4-5-2-1-3-7-5/h1-3H,4,6H2</inchi>
  <inchikey>DDRPCXLAQZKBJP-UHFFFAOYSA-N</inchikey>
  <taxonomy>
    <kingdom>Organic compounds</kingdom>
    <super_class>Organic nitrogen compounds</super_class>
    <class>Organonitrogen compounds</class>
    <sub_class>Amines</sub_class>
    <direct_parent>Aralkylamines</direct_parent>
    <alternate_parents>
      <alternative_parent>Furans</alternative_parent>
      <alternative_parent>Heteroaromatic compounds</alternative_parent>
      <alternative_parent>Hydrocarbon derivatives</alternative_parent>
      <alternative_parent>Monoalkylamines</alternative_parent>
      <alternative_parent>Organooxygen compounds</alternative_parent>
      <alternative_parent>Organopnictogen compounds</alternative_parent>
      <alternative_parent>Oxacyclic compounds</alternative_parent>
    </alternate_parents>
    <substituents>
      <substituent>Aralkylamine</substituent>
      <substituent>Aromatic heteromonocyclic compound</substituent>
      <substituent>Furan</substituent>
      <substituent>Heteroaromatic compound</substituent>
      <substituent>Hydrocarbon derivative</substituent>
      <substituent>Organic oxygen compound</substituent>
      <substituent>Organoheterocyclic compound</substituent>
      <substituent>Organooxygen compound</substituent>
      <substituent>Organopnictogen compound</substituent>
      <substituent>Oxacycle</substituent>
      <substituent>Primary aliphatic amine</substituent>
      <substituent>Primary amine</substituent>
    </substituents>
    <molecular_framework>Aromatic heteromonocyclic compounds</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>0.4</value>
    </property>
  </experimental_properties>
  <predicted_properties>
    <property>
      <kind>logp</kind>
      <value>-0.43</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logs</kind>
      <value>-0.62</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>solubility</kind>
      <value>2.31e+01 g/l</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logp</kind>
      <value>0.16</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>pka_strongest_basic</kind>
      <value>7.85</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>iupac</kind>
      <value>(furan-2-yl)methanamine</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>average_mass</kind>
      <value>97.117</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>97.052763849</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>NCC1=CC=CO1</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C5H7NO</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C5H7NO/c6-4-5-2-1-3-7-5/h1-3H,4,6H2</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>DDRPCXLAQZKBJP-UHFFFAOYSA-N</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>polar_surface_area</kind>
      <value>39.16</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>refractivity</kind>
      <value>26.92</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>polarizability</kind>
      <value>10.21</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>rotatable_bond_count</kind>
      <value>1</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>acceptor_count</kind>
      <value>1</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>donor_count</kind>
      <value>1</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>physiological_charge</kind>
      <value>1</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formal_charge</kind>
      <value>0</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:0x00007f7225edc940&gt;</health_effects>
  <symptoms/>
  <treatment/>
  <drugbank_id/>
  <hmdb_id/>
  <pubchem_compound_id>3438</pubchem_compound_id>
  <chembl_id/>
  <chemspider_id>3320</chemspider_id>
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  <biocyc_id/>
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  <wikipidia/>
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</compound>
