<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">99060</id>
  <title nil="true"/>
  <common-name>2-Aminoethyl L-lysinate trihydrochloride</common-name>
  <description>2-Aminoethyl L-lysinate trihydrochloride belongs to the amino acids, peptides, and analogues, a subclass of carboxylic acids and derivatives within the organic compounds. This compound has the formula C8H19N3O2 and an average molecular weight of 298.63 g/mol. It is further classified under the superclass of organic acids and derivatives.</description>
  <cas>70198-23-1</cas>
  <pubchem-id>21118880</pubchem-id>
  <chemical-formula>C8H19N3O2</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">2026-04-05T06:37:44Z</created-at>
  <updated-at type="dateTime">2026-04-05T06:37:44Z</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>Cl.Cl.Cl.NCCCC[C@H](N)C(=O)OCCN</moldb-smiles>
  <moldb-formula>C8H19N3O2</moldb-formula>
  <moldb-inchi>InChI=1/C8H19N3O2.3ClH/c9-4-2-1-3-7(11)8(12)13-6-5-10;;;/h7H,1-6,9-11H2;3*1H</moldb-inchi>
  <moldb-inchikey>SAKAHFSYUHWBLG-QTPLPEIMSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">298.63</moldb-average-mass>
  <moldb-mono-mass type="decimal">189.1477268</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>CHEM094953</chemdb-id>
  <dsstox-id>DTXSID60887692</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00061766</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>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>CED0186963</sync-id>
  <structure-inchikey>SAKAHFSYUHWBLG-QTPLPEIMSA-N</structure-inchikey>
  <structure-fingerprint>40040000000000000000800000000000000010000000000000000080000000000000000000004000000000000000000000000008000000000000000000000000000000000000000000000000000000000020000000000100000000021000000000002000010000000000000000000000000001000000000000000400000000000000000000000020000000000000000000001000000000000000000000000000100000000400000000000000000000000000000000000000000000000004000020000000000000000000000000000000000000000000000000000000000000000000000000008040000000000000010400000000000000000000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€���@������@������@������`�������`�������`�������`�������`������ 4��������`�������(�������(�������(�������`�������`�������`����������������������	��
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  <structure-indexed-at type="dateTime">2026-09-19T04:38:32Z</structure-indexed-at>
</compound>
