<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">77238</id>
  <title nil="true"/>
  <common-name>Benzenamine, N-ethyl-N-(2-methoxyethyl)-3-methyl-4-nitroso-</common-name>
  <description>Benzenamine, N-ethyl-N-(2-methoxyethyl)-3-methyl-4-nitroso- belongs to the toluenes, a subclass of benzene and substituted derivatives within the organic compounds. This benzenoid compound has the chemical formula C12H18N2O2 and an average molecular weight of 222.29 g/mol.</description>
  <cas>63134-20-3</cas>
  <pubchem-id>113051</pubchem-id>
  <chemical-formula>C12H18N2O2</chemical-formula>
  <weight>222.28</weight>
  <appearance nil="true"/>
  <melting-point nil="true"/>
  <boiling-point nil="true"/>
  <density nil="true"/>
  <solubility nil="true"/>
  <specific-gravity nil="true"/>
  <flash-point nil="true"/>
  <vapour-pressure nil="true"/>
  <route-of-exposure nil="true"/>
  <target nil="true"/>
  <mechanism-of-toxicity nil="true"/>
  <metabolism nil="true"/>
  <toxicity nil="true"/>
  <lethaldose nil="true"/>
  <carcinogenicity nil="true"/>
  <use-source nil="true"/>
  <min-risk-level nil="true"/>
  <health-effects nil="true"/>
  <symptoms nil="true"/>
  <treatment nil="true"/>
  <created-at type="dateTime">2026-04-04T08:47:50Z</created-at>
  <updated-at type="dateTime">2026-08-18T19:38:58Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia nil="true"/>
  <uniprot-id nil="true"/>
  <kegg-compound-id nil="true"/>
  <omim-id nil="true"/>
  <chebi-id nil="true"/>
  <biocyc-id nil="true"/>
  <ctd-id nil="true"/>
  <stitch-id nil="true"/>
  <drugbank-id nil="true"/>
  <pdb-id nil="true"/>
  <actor-id nil="true"/>
  <organism nil="true"/>
  <export type="boolean">true</export>
  <metabolizing-proteins nil="true"/>
  <transporting-proteins nil="true"/>
  <moldb-smiles>CCN(CCOC)C1=CC(C)=C(C=C1)N=O</moldb-smiles>
  <moldb-formula>C12H18N2O2</moldb-formula>
  <moldb-inchi>InChI=1S/C12H18N2O2/c1-4-14(7-8-16-3)11-5-6-12(13-15)10(2)9-11/h5-6,9H,4,7-8H2,1-3H3</moldb-inchi>
  <moldb-inchikey>SYVTVOOPVKBARJ-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">222.288</moldb-average-mass>
  <moldb-mono-mass type="decimal">222.136828</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>2</logp>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id>101325</chemspider-id>
  <structure-image-file-name nil="true"/>
  <structure-image-content-type nil="true"/>
  <structure-image-file-size type="integer" nil="true"/>
  <structure-image-updated-at type="dateTime" nil="true"/>
  <biodb-id nil="true"/>
  <synthesis-reference nil="true"/>
  <structure-image-caption nil="true"/>
  <chemdb-id>CHEM073131</chemdb-id>
  <dsstox-id>DTXSID5069704</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00035322</susdat-id>
  <iupac>N-ethyl-N-(2-methoxyethyl)-3-methyl-4-nitrosoaniline</iupac>
  <moldb-polar-surface-area nil="true"/>
  <moldb-refractivity nil="true"/>
  <moldb-polarizability nil="true"/>
  <moldb-rotatable-bond-count nil="true"/>
  <moldb-acceptor-count nil="true"/>
  <moldb-donor-count nil="true"/>
  <moldb-pka-strongest-acidic nil="true"/>
  <moldb-pka-strongest-basic nil="true"/>
  <moldb-physiological-charge nil="true"/>
  <moldb-number-of-rings nil="true"/>
  <moldb-alogps-logp nil="true"/>
  <moldb-alogps-logs nil="true"/>
  <moldb-alogps-solubility nil="true"/>
  <kingdom>Organic compounds</kingdom>
  <superklass>Benzenoids</superklass>
  <klass>Benzene and substituted derivatives</klass>
  <subklass>Toluenes</subklass>
  <paper-count type="integer">0</paper-count>
  <sync-id>CED0157580</sync-id>
  <structure-inchikey>SYVTVOOPVKBARJ-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>42000000000000000800000000002000000000000080000000000000000000002000002000000000000000000000000000000000000000200200002000000000000000000000000000000000000000020000000000100000004000000000000000000000400000040000080104000000000000800000080001000000400000000000040000000008000000000000000000000000000000000000000000000000000000000000000000008080900000000000000000000000000000000000000000000000000000000000000000000000001000000002000000200000001000000000000000000000040000000000000800001000000000000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€���`�������`�������(�������`�������`������� ������`������@(������@h�������@(�������`������@(������@h�������@h��������(�������(�������������������������� ��h��	h�	
�	�h���h��h��� ��(��h�B��������	�����������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T04:25:00Z</structure-indexed-at>
</compound>
