<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">74448</id>
  <title nil="true"/>
  <common-name>Benzoxazol-2-amine</common-name>
  <description>Benzoxazol-2-amine is an organic compound with the formula C7H6N2O1 and an average molecular weight of 134.14 g/mol. Benzoxazol-2-amine belongs to the benzoxazoles, a class of organoheterocyclic compounds within the organic compounds. This substance has been identified in or released from two recorded sources, specifically radio transmission systems and electrical and electronic equipment, including fixed capacitors and their manufacture.</description>
  <cas>4570-41-6</cas>
  <pubchem-id>20707</pubchem-id>
  <chemical-formula>C7H6N2O1</chemical-formula>
  <weight>134.14</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">2026-04-04T01:47:55Z</created-at>
  <updated-at type="dateTime">2026-08-24T05:38:08Z</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=NC2=CC=CC=C2O1</moldb-smiles>
  <moldb-formula>C7H6N2O1</moldb-formula>
  <moldb-inchi>InChI=1S/C7H6N2O/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4H,(H2,8,9)</moldb-inchi>
  <moldb-inchikey>JPBLHOJFMBOCAF-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">134.138</moldb-average-mass>
  <moldb-mono-mass type="decimal">134.048013</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>1.5</logp>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id>19499</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>CHEM070341</chemdb-id>
  <dsstox-id>DTXSID90196603</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00031555</susdat-id>
  <iupac>1,3-benzoxazol-2-amine</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>Organoheterocyclic compounds</superklass>
  <klass>Benzoxazoles</klass>
  <subklass nil="true"/>
  <paper-count type="integer">17</paper-count>
  <sync-id>CED0031272</sync-id>
  <structure-inchikey>JPBLHOJFMBOCAF-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>800000000000010000040000000000000000000002100000000000000000000000000000000000000000000000000000000000000000000800000000000000000000000000000000000100000000000000000000000000000000000000000080000000000000000000000000000804000000080000000001000000100000000000000000000000000000000000000000000088000000000000000004000000000000000000000000000000000000800000000000000000000000000000000000200000000000000800000000001000040000000000000000000000000000000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>312000000001010000820000000002000040000002c20400200008c4000001002800000100001000080000004200020008c20010000443800a0430080111001021000000080100000620002000001104001013202000420102200000c080404004002002002000040100000200680308101000411180820001500020040000844400000080042020a084008100c0802c40014022000080000004004004300000000424002000900003c201002c00400824108404800408040005310000000040401021001800000000100000500000000004020040002840800010020100008000002000040001001002000020000100040000ac000080058000000</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ����������������
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  <structure-indexed-at type="dateTime">2026-09-19T04:22:55Z</structure-indexed-at>
</compound>
