100542 <common-name>1-(2-Carboxylatoethyl)-2-hexyl-4,5-dihydro-3-(2-hydroxyethyl)-1H-imidazolium</common-name> <description nil="true"/> <cas nil="true"/> <pubchem-id nil="true"/> <chemical-formula>C14H28N2O3</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">2026-04-05T07:55:49Z</created-at> <updated-at type="dateTime">2026-04-05T07:55:49Z</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>CCCCCCC1=[N+](CCC([O-])=O)CCN1CCO</moldb-smiles> <moldb-formula>C14H28N2O3</moldb-formula> <moldb-inchi>InChI=1/C14H28N2O3/c1-2-3-4-5-6-13-15(8-7-14(18)19)9-10-16(13)11-12-17/h13,17H,2-12H2,1H3,(H,18,19)</moldb-inchi> <moldb-inchikey>AMOZZGMWMYFPPT-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">270.373</moldb-average-mass> <moldb-mono-mass type="decimal">272.2099928</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>CHEM096435</chemdb-id> <dsstox-id>DTXSID6071950</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00063619</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>Organoheterocyclic compounds</superklass> <klass>Azolidines</klass> <subklass>Imidazolidines</subklass> <paper-count type="integer">0</paper-count> <sync-id>CED0161538</sync-id> <structure-inchikey>QQMSEIJLXRNKTA-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>20002000000800000000000040000000008040000040002040000000000000002000000000000000000000000000000000000000001004000000000000000000000000000010000000000000020000000000000001001010000000000004020010000000000000000000000000000020100000000000000000000000400001040000000400000000000014000000000800000000020001000000000000000000000000000000000080000000000002008000010008000000000000000000008000000000000000000000000000000000000000000000000000000000000000000000000000000000000010400000000000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ������������������������€���`�������`�������`�������`�������`�������`�������(������ *��������`�������`�������(������ *���ÿ����(�������`�������`�������(�������`�������`�������`��������������������������(����� � � � �(�� � ���������������� B������� ������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:39:21Z</structure-indexed-at> </compound>