6528 <common-name>3,6-DIMETHYL-2-ISOBUTYLPYRAZINE</common-name> <description>3,6-DIMETHYL-2-ISOBUTYLPYRAZINE belongs to the pyrazines, a subclass of diazines within the organic compounds. This organoheterocyclic compound has the chemical formula C10H16N2 and an average molecular weight of 164.25 g/mol. In industrial applications, it is utilized as a nutrient and a flavouring agent.</description> <cas>32736-94-0</cas> <pubchem-id>520585</pubchem-id> <chemical-formula>C10H16N2</chemical-formula> <weight>164.25</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">2016-05-19T02:02:00Z</created-at> <updated-at type="dateTime">2026-08-18T01:51:55Z</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)CC1=NC(C)=CN=C1C</moldb-smiles> <moldb-formula>C10H16N2</moldb-formula> <moldb-inchi>InChI=1S/C10H16N2/c1-7(2)5-10-9(4)11-6-8(3)12-10/h6-7H,5H2,1-4H3</moldb-inchi> <moldb-inchikey>KEJOEQXAEQCAKT-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">164.252</moldb-average-mass> <moldb-mono-mass type="decimal">164.131348523</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>2.2</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>454093</chemspider-id> <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>CHEM005423</chemdb-id> <dsstox-id>DTXSID30186407</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00113883</susdat-id> <iupac>2,5-dimethyl-3-(2-methylpropyl)pyrazine</iupac> <moldb-polar-surface-area>25.78</moldb-polar-surface-area> <moldb-refractivity>49.2952</moldb-refractivity> <moldb-polarizability>19.679058965601026</moldb-polarizability> <moldb-rotatable-bond-count>2</moldb-rotatable-bond-count> <moldb-acceptor-count>2</moldb-acceptor-count> <moldb-donor-count>0</moldb-donor-count> <moldb-pka-strongest-acidic nil="true"/> <moldb-pka-strongest-basic>1.8694162803737027</moldb-pka-strongest-basic> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>1</moldb-number-of-rings> <moldb-alogps-logp>2.46</moldb-alogps-logp> <moldb-alogps-logs>-1.84</moldb-alogps-logs> <moldb-alogps-solubility>2.38e+00 g/l</moldb-alogps-solubility> <kingdom>Organic compounds</kingdom> <superklass>Organoheterocyclic compounds</superklass> <klass>Diazines</klass> <subklass>Pyrazines</subklass> <paper-count type="integer">0</paper-count> <sync-id>CED0131750</sync-id> <structure-inchikey>KEJOEQXAEQCAKT-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000000000000000001800800000000000000080000000000000000000000000000001000000000000000000000002000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000020000000000000000020000000000000000000000000000000040000000000000000000000000000000200004000000000000000000000000000000000000000000080000000000000000080000000000000000000100000000002000000000000000000000000000000000002010000002000000000000000080000101000040000040000000000000000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAMAAAADAAAAIABBgBgAAAAAQMGAGAAAAAD AQYAYAAAAAEDBgBgAAAAAgIGQCgAAAADBAdAKAAAAAMDBkAoAAAAAwQGAGAA AAABAwZAaAAAAAMDAQdAKAAAAAMDBkAoAAAAAwQGAGAAAAABAwsAAQABAgAB AwADBAAEBWgMBQZoDAYHAAYIaAwICWgMCQpoDAoLAAoEaAxCAQAAAAYECgkI BgUXBAAAAAAAAAAW </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:02:23Z</structure-indexed-at> </compound>