<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2016-05-19 04:35:28 UTC</creation_date>
  <update_date>2026-08-19 11:22:14 UTC</update_date>
  <accession/>
  <common_name>3-(Oxiran-2-ylmethoxy)-N,N-bis(oxiran-2-ylmethyl)aniline</common_name>
  <class>SmallMolecule</class>
  <description>3-(Oxiran-2-ylmethoxy)-N,N-bis(oxiran-2-ylmethyl)aniline is an organic compound with the chemical formula C15H19NO4 and an average molecular weight of 277.32 g/mol. 3-(Oxiran-2-ylmethoxy)-N,N-bis(oxiran-2-ylmethyl)aniline belongs to the aminophenyl ethers, a subclass of phenol ethers within the organic compounds.

This compound has been identified in or released from 20 recorded sources. These sources include aquatic systems and sediments, such as seawater, freshwater, surface water, and groundwater, as well as drinking water and water supply sources including tap water, bottled water, desalinated water, and drinking water. It is also found in wastewater, sanitation and biosolids, including wastewater treatment effluent, mine wastewater, unspecified wastewater, and industrial wastewater. Additionally, it has been detected in marine, shipping and aquaculture sources such as bilge water and ballast water, and in agriculture and land management via irrigation water. Further recorded sources include appliances, HVAC and refrigerants, specifically water heaters and water coolers, along with three additional sectors. Recorded exposure routes for this substance include touch, oral, and inhalation.</description>
  <categories/>
  <types>
    <type>PMT</type>
  </types>
  <synonyms>
    <synonym>m-(2,3-epoxypropoxy)-N,N-bis(2,3-epoxypropyl)aniline</synonym>
  </synonyms>
  <chemical_formula>C15H19NO4</chemical_formula>
  <average_molecular_weight>277.32</average_molecular_weight>
  <monisotopic_moleculate_weight>277.131408096</monisotopic_moleculate_weight>
  <iupac_name>3-[(oxiran-2-yl)methoxy]-N,N-bis[(oxiran-2-yl)methyl]aniline</iupac_name>
  <traditional_iupac>3-(oxiran-2-ylmethoxy)-N,N-bis(oxiran-2-ylmethyl)aniline</traditional_iupac>
  <cas_registry_number>71604-74-5</cas_registry_number>
  <smiles>C(OC1=CC=CC(=C1)N(CC1CO1)CC1CO1)C1CO1</smiles>
  <inchi>InChI=1S/C15H19NO4/c1-2-11(4-12(3-1)17-9-15-10-20-15)16(5-13-7-18-13)6-14-8-19-14/h1-4,13-15H,5-10H2</inchi>
  <inchikey>VAGOJLCWTUPBKD-UHFFFAOYSA-N</inchikey>
  <taxonomy>
    <kingdom>Organic compounds</kingdom>
    <super_class>Benzenoids</super_class>
    <class>Phenol ethers</class>
    <sub_class>Aminophenyl ethers</sub_class>
    <direct_parent>Aminophenyl ethers</direct_parent>
    <alternate_parents>
      <alternative_parent>Alkyl aryl ethers</alternative_parent>
      <alternative_parent>Aniline and substituted anilines</alternative_parent>
      <alternative_parent>Dialkyl ethers</alternative_parent>
      <alternative_parent>Dialkylarylamines</alternative_parent>
      <alternative_parent>Epoxides</alternative_parent>
      <alternative_parent>Hydrocarbon derivatives</alternative_parent>
      <alternative_parent>Organopnictogen compounds</alternative_parent>
      <alternative_parent>Oxacyclic compounds</alternative_parent>
      <alternative_parent>Phenoxy compounds</alternative_parent>
    </alternate_parents>
    <substituents>
      <substituent>Alkyl aryl ether</substituent>
      <substituent>Amine</substituent>
      <substituent>Aminophenyl ether</substituent>
      <substituent>Aniline or substituted anilines</substituent>
      <substituent>Aromatic heteromonocyclic compound</substituent>
      <substituent>Dialkyl ether</substituent>
      <substituent>Dialkylarylamine</substituent>
      <substituent>Ether</substituent>
      <substituent>Hydrocarbon derivative</substituent>
      <substituent>Monocyclic benzene moiety</substituent>
      <substituent>Organic nitrogen compound</substituent>
      <substituent>Organic oxygen compound</substituent>
      <substituent>Organoheterocyclic compound</substituent>
      <substituent>Organonitrogen compound</substituent>
      <substituent>Organooxygen compound</substituent>
      <substituent>Organopnictogen compound</substituent>
      <substituent>Oxacycle</substituent>
      <substituent>Oxirane</substituent>
      <substituent>Phenoxy compound</substituent>
      <substituent>Tertiary aliphatic/aromatic amine</substituent>
      <substituent>Tertiary 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>1.1</value>
    </property>
  </experimental_properties>
  <predicted_properties>
    <property>
      <kind>logp</kind>
      <value>1.10</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logs</kind>
      <value>-1.87</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>solubility</kind>
      <value>3.75e+00 g/l</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logp</kind>
      <value>1.45</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>pka_strongest_basic</kind>
      <value>0.38</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>iupac</kind>
      <value>3-[(oxiran-2-yl)methoxy]-N,N-bis[(oxiran-2-yl)methyl]aniline</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>average_mass</kind>
      <value>277.32</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>277.131408096</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>C(OC1=CC=CC(=C1)N(CC1CO1)CC1CO1)C1CO1</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C15H19NO4</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C15H19NO4/c1-2-11(4-12(3-1)17-9-15-10-20-15)16(5-13-7-18-13)6-14-8-19-14/h1-4,13-15H,5-10H2</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>VAGOJLCWTUPBKD-UHFFFAOYSA-N</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>polar_surface_area</kind>
      <value>50.06</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>refractivity</kind>
      <value>73.18</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>polarizability</kind>
      <value>29.31</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>rotatable_bond_count</kind>
      <value>8</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>acceptor_count</kind>
      <value>5</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>donor_count</kind>
      <value>0</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>physiological_charge</kind>
      <value>0</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formal_charge</kind>
      <value>0</value>
      <source>ChemAxon</source>
    </property>
  </predicted_properties>
  <route_of_exposure/>
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  <metabolism/>
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  <lethaldose/>
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  <use_source/>
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  <symptoms/>
  <treatment/>
  <drugbank_id/>
  <hmdb_id/>
  <pubchem_compound_id>3018173</pubchem_compound_id>
  <chembl_id/>
  <chemspider_id>2285761</chemspider_id>
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  <general_references/>
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</compound>
