<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">18067</id>
  <title nil="true"/>
  <common-name>2-Aminoanthracene</common-name>
  <description>2-Aminoanthracene is an organic compound with the chemical formula C14H11N and an average molecular weight of 193.25 g/mol. 2-Aminoanthracene belongs to the anthracenes, a class of benzenoids within the organic compounds.

This substance is found in or released from seven recorded sources. These include electrical and electronic equipment, specifically antennas, hybrid capacitors, and conductors or conductive bodies characterised by the conductive materials. It is also associated with food, food processing and cookware, including food contact materials and food preservation. Additionally, it is found in household cleaning and consumer products, such as tobacco smoke filters and cigar cigarettes. Recorded exposure routes for 2-Aminoanthracene include touch, oral, and inhalation.</description>
  <cas>613-13-8</cas>
  <pubchem-id>11937</pubchem-id>
  <chemical-formula>C14H11N</chemical-formula>
  <weight>193.24</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">2016-05-22T03:49:43Z</created-at>
  <updated-at type="dateTime">2026-08-19T04:27:46Z</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>NC1=CC2=CC3=CC=CC=C3C=C2C=C1</moldb-smiles>
  <moldb-formula>C14H11N</moldb-formula>
  <moldb-inchi>InChI=1S/C14H11N/c15-14-6-5-12-7-10-3-1-2-4-11(10)8-13(12)9-14/h1-9H,15H2</moldb-inchi>
  <moldb-inchikey>YCSBALJAGZKWFF-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">193.249</moldb-average-mass>
  <moldb-mono-mass type="decimal">193.089149358</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>3.5</logp>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id>11443</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>CHEM016962</chemdb-id>
  <dsstox-id>DTXSID2024458</dsstox-id>
  <toxcast-id>24458</toxcast-id>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00010865</susdat-id>
  <iupac>anthracen-2-amine</iupac>
  <moldb-polar-surface-area>26.02</moldb-polar-surface-area>
  <moldb-refractivity>63.658800000000014</moldb-refractivity>
  <moldb-polarizability>22.181267890494585</moldb-polarizability>
  <moldb-rotatable-bond-count>0</moldb-rotatable-bond-count>
  <moldb-acceptor-count>1</moldb-acceptor-count>
  <moldb-donor-count>1</moldb-donor-count>
  <moldb-pka-strongest-acidic nil="true"/>
  <moldb-pka-strongest-basic>4.248875029464159</moldb-pka-strongest-basic>
  <moldb-physiological-charge>0</moldb-physiological-charge>
  <moldb-number-of-rings>3</moldb-number-of-rings>
  <moldb-alogps-logp>3.69</moldb-alogps-logp>
  <moldb-alogps-logs>-4.36</moldb-alogps-logs>
  <moldb-alogps-solubility>8.42e-03 g/l</moldb-alogps-solubility>
  <kingdom>Organic compounds</kingdom>
  <superklass>Benzenoids</superklass>
  <klass>Anthracenes</klass>
  <subklass nil="true"/>
  <paper-count type="integer">881</paper-count>
  <sync-id>CED0009003</sync-id>
  <structure-inchikey>YCSBALJAGZKWFF-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>100000000000000000000000000000200000000000000000040000000000000000000000000000000000000000000000000000000000000100000000000000000000000000000000000000000000000000000000100080000000000000000000000000000000000000000000000001800000000000000000009000000100000000000000000000000000000000000080000000080000000000000000004000000000000000000000000000000000000000000000000000000000000000000000000200000000000000000000000001000040000000000000040000000000000000000000000000</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���h���h���h���h���h��	h�	
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  <structure-indexed-at type="dateTime">2026-09-19T04:06:49Z</structure-indexed-at>
</compound>
