365553 <common-name>1-methyl-3-pentylimidazol-1-ium bromide</common-name> <description>1-methyl-3-pentylimidazol-1-ium bromide is a chemical compound with the formula C9H17BrN2. It has an average molecular weight of 233.15 g/mol.</description> <cas nil="true"/> <pubchem-id>10537569</pubchem-id> <chemical-formula>C9H17BrN2</chemical-formula> <weight>233.15</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">2026-09-01T16:13:18Z</created-at> <updated-at type="dateTime">2026-09-01T16:13:18Z</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>CCCCCN1C=C[N+](=C1)C.[Br-]</moldb-smiles> <moldb-formula>C9H17BrN2</moldb-formula> <moldb-inchi>InChI=1S/C9H17N2.BrH/c1-3-4-5-6-11-8-7-10(2)9-11;/h7-9H,3-6H2,1-2H3;1H/q+1;/p-1</moldb-inchi> <moldb-inchikey>PXFKRXXEFJDOMO-UHFFFAOYSA-M</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">232.05751</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>CHEM361446</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>1-methyl-3-pentylimidazol-1-ium bromide</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>Azoles</klass> <subklass>Imidazoles</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0315504</sync-id> <structure-inchikey>PXFKRXXEFJDOMO-UHFFFAOYSA-M</structure-inchikey> <structure-fingerprint>10000000000000000800000000000000000000000000000000000000000000000800002000000000000000000000000000000000040000001000000000000000000000000000000010000000000000000008040011000000000000000000000080020000000000000000000000004000000000100000000000000001000000000000040000000000400000000004000000000000000000000000000000000000000000000000000000004040000000000000008000000100000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000040000000010000000000000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>200000000000000002000001000000004000000202040000001044000200000800000000001000480000004200000000c00010000443000a0000084110000001000000080100000620000000000104021000200000420000000000c200402000002002040001050000000200080300100000411180820001000020048000004400000080000000c080000100400024440000000000800000000240003200000004000000008000024201002c0000000010800080000000000020000001004040002000080000000000000000000000000402000000004080001000000080000080200000000108000200000000010004000080000000070000002</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAMAAAACwAAAIABBgBgAAAAAQMGAGAAAAAC AgYAYAAAAAICBgBgAAAAAgIGAGAAAAACAgdAKAAAAAMDBkBoAAAAAwMBBkBo AAAAAwMBB2AqAAAAAQMEBkBoAAAAAwMBBgBgAAAAAQMjIAIAAAD/CwABAAEC AAIDAAMEAAQFAAUGaAwGB2gMBwhoDAgJaAwICgAJBWgMQgEAAAAFBQYHCAkX BAAAAAAAAAAW </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T06:01:37Z</structure-indexed-at> </compound>