<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">364770</id>
  <title nil="true"/>
  <common-name>[4-(1-aminocyclopropyl)phenyl]boronic acid</common-name>
  <description>[4-(1-aminocyclopropyl)phenyl]boronic acid is a chemical compound with the formula C9H12BNO2. It has an average molecular weight of 177.01 g/mol.</description>
  <cas>1256444-70-8</cas>
  <pubchem-id>53216308</pubchem-id>
  <chemical-formula>C9H12BNO2</chemical-formula>
  <weight>177.01</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">2026-09-01T15:02:59Z</created-at>
  <updated-at type="dateTime">2026-09-01T15:02:59Z</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>B(C1=CC=C(C=C1)C2(CC2)N)(O)O</moldb-smiles>
  <moldb-formula>C9H12BNO2</moldb-formula>
  <moldb-inchi>InChI=1S/C9H12BNO2/c11-9(5-6-9)7-1-3-8(4-2-7)10(12)13/h1-4,12-13H,5-6,11H2</moldb-inchi>
  <moldb-inchikey>NAUAVKHPAOUUAP-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">177.0961088</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>CHEM360663</chemdb-id>
  <dsstox-id nil="true"/>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id nil="true"/>
  <iupac>[4-(1-aminocyclopropyl)phenyl]boronic acid</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>Organic nitrogen compounds</superklass>
  <klass>Organonitrogen compounds</klass>
  <subklass>Amines</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0314743</sync-id>
  <structure-inchikey>NAUAVKHPAOUUAP-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>400000000000000000000000000000000000000020000000000000020000000001000000000000000000000000000000000000000000000010000008000000000000000008000100000000000000000000000000008000000000000000040000000000010000000000000000000000000000020000000000000000000000000000000008000000000000000000000000201000000000000000000000000000000000000000000000000000080000000000000000000000000000000000080000000004000008000000000000000000000000000000000000000200000000000000000000000000000040000000000000000000000000000000000000004000</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�	��B��������������	����������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T06:01:04Z</structure-indexed-at>
</compound>
