89184 <common-name>A-methylnaphthalene-1-acetonitrile</common-name> <description>A-methylnaphthalene-1-acetonitrile belongs to the naphthalenes, a class of benzenoids within the organic compounds. This compound has the chemical formula C13H11N and an average molecular weight of 181.24 g/mol.</description> <cas>24168-42-1</cas> <pubchem-id>91132</pubchem-id> <chemical-formula>C13H11N</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">2026-04-04T23:33:11Z</created-at> <updated-at type="dateTime">2026-04-04T23:33:11Z</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>CC(C#N)C1=CC=CC2=CC=CC=C12</moldb-smiles> <moldb-formula>C13H11N</moldb-formula> <moldb-inchi>InChI=1/C13H11N/c1-10(9-14)12-8-4-6-11-5-2-3-7-13(11)12/h2-8,10H,1H3</moldb-inchi> <moldb-inchikey>VQRBAFPBJMOCCK-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">181.238</moldb-average-mass> <moldb-mono-mass type="decimal">181.0891494</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>CHEM085077</chemdb-id> <dsstox-id>DTXSID00946994</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00050034</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>Benzenoids</superklass> <klass>Naphthalenes</klass> <subklass nil="true"/> <paper-count type="integer">0</paper-count> <sync-id>CED0116815</sync-id> <structure-inchikey>VQRBAFPBJMOCCK-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000000000000000000000000000000000000000000000000000000000400000000001000000000000000000000000000000000000000000000000000000000000000000000000004000000000000000000000020000000000000000000000000000200000040000000000000000000000000000000000000000000000000000001000040000001800080000000000000000000000100000000000000000004000000000000000000040040088000000000000000000000000000000000000000000000040000000000000000000000000200004000000000000200000000000000100000000001000040000000000000000000000000000000000000000000</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���h�� h� h� �h���h�� h� �h� �h�B������ ����� �� �����������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:32:33Z</structure-indexed-at> </compound>