105819 <common-name>1-Butyl-2-hydroxy-guanidine</common-name> <description>1-Butyl-2-hydroxy-guanidine is an organic nitrogen compound with the formula C5H13N3O and an average molecular weight of 131.18 g/mol. 1-Butyl-2-hydroxy-guanidine belongs to the guanidines, a subclass of organonitrogen compounds within the organic compounds. In terms of biological activity, one protein target has been recorded for this compound, as it acts as an inhibitor of Nitric oxide synthase 1 (NOS1).</description> <cas>140215-98-1</cas> <pubchem-id>447030</pubchem-id> <chemical-formula>C5H13N3O</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">2026-04-05T12:38:52Z</created-at> <updated-at type="dateTime">2026-05-14T17:45:53Z</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>DB02727</drugbank-id> <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=C(/N)NO</moldb-smiles> <moldb-formula>C5H13N3O</moldb-formula> <moldb-inchi>InChI=1S/C5H13N3O/c1-2-3-4-7-5(6)8-9/h9H,2-4H2,1H3,(H3,6,7,8)</moldb-inchi> <moldb-inchikey>ULDDTFAPYWLDGF-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">131.1762</moldb-average-mass> <moldb-mono-mass type="decimal">131.105862</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>0.37</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>CHEM101712</chemdb-id> <dsstox-id nil="true"/> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00070899</susdat-id> <iupac>(E)-N''-butyl-N-hydroxyguanidine</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>Organic nitrogen compounds</superklass> <klass>Organonitrogen compounds</klass> <subklass>Guanidines</subklass> <paper-count type="integer">0</paper-count> <sync-id>CED0114592</sync-id> <structure-inchikey>ULDDTFAPYWLDGF-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>800000000000000880000000000000000000000000000000000002000000000000000000000000000000000000000008000000000000000000000000100000010000000000000000000000004000000004000000000000000020010000000010000000020000000000000000000000000000000000000000000040000000000000000000000080001000000000000000000000000000000000000000008000000000000000000000000000000000000000000000000000000000000000000000000100000000000000000000000000008000000000000000000000000000000000000000010000000000000000000000080000000000</structure-fingerprint> <structure-pattern-fingerprint>2000000000000000000000000020000000000220040000000000e08000000040020080008000000000010000000000042000000004000000004420002000008011000000000000000000000042000000000000400000020000000000000000002800000000000100000000500000002000001009000000113800000010000200400000044000000800000008000000100400024400000000000800000000000043200000000000000008000000000002c0000000000800000000000000000000000000040000000080000000000000000000000000400000000000080000000000080000080000000000800000000000000000004000000000000050030002</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAJAAAACAAAAIABBgBgAAAAAQMGAGAAAAAC AgYAYAAAAAICBgBgAAAAAgIHACgAAAADAwYAKAAAAAMEBwBoAAAAAwECBwBo AAAAAwIBCABgAAAAAQELAAEAAQIAAgMAAwQEAwQFKgIDAgMHBQYkBAUHIAcI AEIAAAAAFwQAAAAAAAAAFg== </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:41:55Z</structure-indexed-at> </compound>