<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2016-06-03 10:00:34 UTC</creation_date>
  <update_date>2026-08-19 10:03:20 UTC</update_date>
  <accession/>
  <common_name>7-ethoxyacridine-3,9-diamine</common_name>
  <class>SmallMolecule</class>
  <description>7-ethoxyacridine-3,9-diamine is an organic compound with the formula C15H15N3O and an average molecular weight of 253.31 g/mol. 7-ethoxyacridine-3,9-diamine belongs to the benzoquinolines, a subclass of quinolines and derivatives within the organic compounds.

This compound is found in or released from 28 recorded sources across several sectors. Within healthcare, pharmaceuticals, and veterinary products, it is associated with antibiotics. In the context of food, food processing, and cookware, it is linked to food preservation, fermentation processes for beer, and the preparation of wine or sparkling wine. It is also identified in household cleaning and consumer products, including soap dispensers, soap detergents, perfumes within detergents and soaps, bleaching agents, and cigar cigarettes. In the building and construction sector, it is found in roofs and floors. Additionally, it is present in electrical and electronic equipment, specifically in antennas, auxiliary devices, contacts, communication cables or conductors, and conductors or conductive bodies characterised by the conductive materials, among 12 other sources. Recorded exposure routes for this substance include oral and inhalation.</description>
  <categories/>
  <types/>
  <synonyms/>
  <chemical_formula>C15H15N3O</chemical_formula>
  <average_molecular_weight>253.305</average_molecular_weight>
  <monisotopic_moleculate_weight>253.121512115</monisotopic_moleculate_weight>
  <iupac_name>7-ethoxy-9-imino-9,10-dihydroacridin-3-amine</iupac_name>
  <traditional_iupac>rivanol</traditional_iupac>
  <cas_registry_number>37222-28-9</cas_registry_number>
  <smiles>CCOC1=CC2=C(NC3=C(C=CC(N)=C3)C2=N)C=C1</smiles>
  <inchi>InChI=1S/C15H15N3O/c1-2-19-10-4-6-13-12(8-10)15(17)11-5-3-9(16)7-14(11)18-13/h3-8H,2,16H2,1H3,(H2,17,18)</inchi>
  <inchikey>CIKWKGFPFXJVGW-UHFFFAOYSA-N</inchikey>
  <taxonomy>
    <kingdom>Organic compounds</kingdom>
    <super_class>Organoheterocyclic compounds</super_class>
    <class>Quinolines and derivatives</class>
    <sub_class>Benzoquinolines</sub_class>
    <direct_parent>Acridines</direct_parent>
    <alternate_parents>
      <alternative_parent>4-aminoquinolines</alternative_parent>
      <alternative_parent>Alkyl aryl ethers</alternative_parent>
      <alternative_parent>Aminopyridines and derivatives</alternative_parent>
      <alternative_parent>Azacyclic compounds</alternative_parent>
      <alternative_parent>Benzenoids</alternative_parent>
      <alternative_parent>Heteroaromatic compounds</alternative_parent>
      <alternative_parent>Hydrocarbon derivatives</alternative_parent>
      <alternative_parent>Organopnictogen compounds</alternative_parent>
      <alternative_parent>Primary amines</alternative_parent>
    </alternate_parents>
    <substituents>
      <substituent>4-aminoquinoline</substituent>
      <substituent>Acridine</substituent>
      <substituent>Alkyl aryl ether</substituent>
      <substituent>Amine</substituent>
      <substituent>Aminopyridine</substituent>
      <substituent>Aminoquinoline</substituent>
      <substituent>Aromatic heteropolycyclic compound</substituent>
      <substituent>Azacycle</substituent>
      <substituent>Benzenoid</substituent>
      <substituent>Ether</substituent>
      <substituent>Heteroaromatic compound</substituent>
      <substituent>Hydrocarbon derivative</substituent>
      <substituent>Organic nitrogen compound</substituent>
      <substituent>Organic oxygen compound</substituent>
      <substituent>Organonitrogen compound</substituent>
      <substituent>Organooxygen compound</substituent>
      <substituent>Organopnictogen compound</substituent>
      <substituent>Primary amine</substituent>
      <substituent>Pyridine</substituent>
    </substituents>
    <molecular_framework>Aromatic heteropolycyclic 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>2.28</value>
    </property>
  </experimental_properties>
  <predicted_properties>
    <property>
      <kind>logp</kind>
      <value>2.59</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logs</kind>
      <value>-3.12</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>solubility</kind>
      <value>1.92e-01 g/l</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logp</kind>
      <value>2.28</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>pka_strongest_acidic</kind>
      <value>18.09</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>pka_strongest_basic</kind>
      <value>12.12</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>iupac</kind>
      <value>7-ethoxy-9-imino-9,10-dihydroacridin-3-amine</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>average_mass</kind>
      <value>253.305</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>253.121512115</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>CCOC1=CC2=C(NC3=C(C=CC(N)=C3)C2=N)C=C1</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C15H15N3O</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C15H15N3O/c1-2-19-10-4-6-13-12(8-10)15(17)11-5-3-9(16)7-14(11)18-13/h3-8H,2,16H2,1H3,(H2,17,18)</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>CIKWKGFPFXJVGW-UHFFFAOYSA-N</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>polar_surface_area</kind>
      <value>71.13</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>refractivity</kind>
      <value>87.45</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>polarizability</kind>
      <value>28.25</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>rotatable_bond_count</kind>
      <value>2</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>acceptor_count</kind>
      <value>4</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>donor_count</kind>
      <value>3</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:0x00007f3bf35347e8&gt;</health_effects>
  <symptoms/>
  <treatment/>
  <drugbank_id>DB13190</drugbank_id>
  <hmdb_id/>
  <pubchem_compound_id>2017</pubchem_compound_id>
  <chembl_id/>
  <chemspider_id>1940</chemspider_id>
  <kegg_id/>
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  <wikipidia/>
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</compound>
