81593 <common-name>1-Butyl-2-methylpyridinium</common-name> <description nil="true"/> <cas nil="true"/> <pubchem-id>13240378</pubchem-id> <chemical-formula>C10H16N1</chemical-formula> <weight>150.24</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">2026-04-04T18:20:04Z</created-at> <updated-at type="dateTime">2026-08-26T18:41:10Z</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>CCCC[N+]1=CC=CC=C1C</moldb-smiles> <moldb-formula>C10H16N1</moldb-formula> <moldb-inchi>InChI=1S/C10H16N/c1-3-4-8-11-9-6-5-7-10(11)2/h5-7,9H,3-4,8H2,1-2H3/q+1</moldb-inchi> <moldb-inchikey>BHIGPVGNEXDQBL-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">150.128275</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>2.6</logp> <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>CHEM077486</chemdb-id> <dsstox-id nil="true"/> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00040839</susdat-id> <iupac>1-butyl-2-methylpyridin-1-ium</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>Pyridines and derivatives</klass> <subklass>Methylpyridines</subklass> <paper-count type="integer">7</paper-count> <sync-id>CED0039024</sync-id> <structure-inchikey>BHIGPVGNEXDQBL-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>20000000000000800000000000000000000000000000000000000000000000000002000000000000000000000000000000200004000001000000000000000000000000000100010000000000000000000000000000000001000000000000000020000000000000000000000000000000000000080400000000001000000000000048000000800000000000000008000000008100000000000000000000000000000000000000000000080000000000000000000000000000000000000000000000000000000000000000000000000000000000002000000200000000000000000000000000000040000000010000000000000000000000000000000000</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">2026-09-19T04:28:09Z</structure-indexed-at> </compound>