<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">63332</id>
  <title nil="true"/>
  <common-name>Cyclohexanecarboxylic acid, 1-amino-</common-name>
  <description>Cyclohexanecarboxylic acid, 1-amino- is an organic compound with the formula C7H13N1O2 and an average molecular weight of 143.19 g/mol. Cyclohexanecarboxylic acid, 1-amino- belongs to the amino acids, peptides, and analogues, a subclass of carboxylic acids and derivatives within the organic compounds. This substance has been identified in or released from two recorded sources, specifically electrical and electronic equipment, including electrodes and conductors or conductive bodies characterized by the conductive materials.</description>
  <cas>2756-85-6</cas>
  <pubchem-id>1366</pubchem-id>
  <chemical-formula>C7H13N1O2</chemical-formula>
  <weight>143.18</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">2026-04-02T23:34:37Z</created-at>
  <updated-at type="dateTime">2026-08-23T20:26:26Z</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(CCCCC1)C(O)=O</moldb-smiles>
  <moldb-formula>C7H13N1O2</moldb-formula>
  <moldb-inchi>InChI=1S/C7H13NO2/c8-7(6(9)10)4-2-1-3-5-7/h1-5,8H2,(H,9,10)</moldb-inchi>
  <moldb-inchikey>WOXWUZCRWJWTRT-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">143.186</moldb-average-mass>
  <moldb-mono-mass type="decimal">143.094629</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>-1.9</logp>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id>1325</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>CHEM059225</chemdb-id>
  <dsstox-id>DTXSID6062626</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00014645</susdat-id>
  <iupac>1-aminocyclohexane-1-carboxylic acid</iupac>
  <moldb-polar-surface-area>63.32000000000001</moldb-polar-surface-area>
  <moldb-refractivity>37.0574</moldb-refractivity>
  <moldb-polarizability>15.07772667266025</moldb-polarizability>
  <moldb-rotatable-bond-count>1</moldb-rotatable-bond-count>
  <moldb-acceptor-count>3</moldb-acceptor-count>
  <moldb-donor-count>2</moldb-donor-count>
  <moldb-pka-strongest-acidic>2.5651725232554874</moldb-pka-strongest-acidic>
  <moldb-pka-strongest-basic>9.825359221511077</moldb-pka-strongest-basic>
  <moldb-physiological-charge>0</moldb-physiological-charge>
  <moldb-number-of-rings>1</moldb-number-of-rings>
  <moldb-alogps-logp>-2.26</moldb-alogps-logp>
  <moldb-alogps-logs>-0.50</moldb-alogps-logs>
  <moldb-alogps-solubility>4.53e+01 g/l</moldb-alogps-solubility>
  <kingdom>Organic compounds</kingdom>
  <superklass>Organic acids and derivatives</superklass>
  <klass>Carboxylic acids and derivatives</klass>
  <subklass>Amino acids, peptides, and analogues</subklass>
  <paper-count type="integer">0</paper-count>
  <sync-id>CED0119003</sync-id>
  <structure-inchikey>WOXWUZCRWJWTRT-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>20000000000000000000000000000080000000000000008000000000000000000000000000000000000000000000000004000000000000000000000000000000000000000000000000000000000000000020000000000000000200000000000000000000010000200000000000000000000000020000000000000000000000000800000008000000000000000000000000201000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000002000000002000000000000000000000000000000000000000000000000000000000000000000000400000000000000000000000000004000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAKAAAACgAAAIABBwBgAAAAAQIGACAAAAAE
BgBgAAAAAgIGAGAAAAACAgYAYAAAAAICBgBgAAAAAgIGAGAAAAACAgYAKAAA
AAMECABoAAAAAwEBCAAoAAAAAwILAAEAAQIAAgMAAwQABAUABQYAAQcABwgg
BwkoAgYBAEIBAAAABgEGBQQDAhcEAAAAAAAAABY=
</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T04:16:13Z</structure-indexed-at>
</compound>
