<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">90116</id>
  <title nil="true"/>
  <common-name>N,N-diethyl-p-vinylphenethylamine</common-name>
  <description>N,N-diethyl-p-vinylphenethylamine belongs to the phenethylamines, a subclass of benzene and substituted derivatives within the organic compounds. This benzenoid compound has the formula C14H21N and an average molecular weight of 203.33 g/mol.</description>
  <cas>27447-36-5</cas>
  <pubchem-id>3015378</pubchem-id>
  <chemical-formula>C14H21N</chemical-formula>
  <weight nil="true"/>
  <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">2026-04-05T00:07:33Z</created-at>
  <updated-at type="dateTime">2026-04-05T00:07:33Z</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(CC)CCC1=CC=C(C=C)C=C1</moldb-smiles>
  <moldb-formula>C14H21N</moldb-formula>
  <moldb-inchi>InChI=1/C14H21N/c1-4-13-7-9-14(10-8-13)11-12-15(5-2)6-3/h4,7-10H,1,5-6,11-12H2,2-3H3</moldb-inchi>
  <moldb-inchikey>BIOCRZSYHQYVSG-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">203.329</moldb-average-mass>
  <moldb-mono-mass type="decimal">203.1673997</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp nil="true"/>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id nil="true"/>
  <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>CHEM086009</chemdb-id>
  <dsstox-id>DTXSID90950126</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00051147</susdat-id>
  <iupac nil="true"/>
  <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>Phenethylamines</subklass>
  <paper-count type="integer">0</paper-count>
  <sync-id>CED0073372</sync-id>
  <structure-inchikey>BIOCRZSYHQYVSG-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>60000000000000800000000000000000000000000000000000100000100000000002000200000000000000000000000000000000000000000000000000000000000000000000000000000800000000000000000200000000000000000000000000000000000000000000004000000000000800000000000000000008000000040040000000000000000000000000000000000000000000001000000000000000000000000000000200080000000000000000000000000000000800000000000000000000000000000000040000000000000000000000000220000000000000000000080000000040000000000000000001000000040000000000004000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€���`�������`������� ������`�������`�������`�������`������@(������@h�������@h�������@(�������h��������h�������@h�������@h������������������������������h��	h�	
h�
� ��(�
h��h���h�B�������
	�����������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T04:33:02Z</structure-indexed-at>
</compound>
