100251 <common-name>[Bis(2-hydroxypropyl)amino]-o-cresol</common-name> <description>[Bis(2-hydroxypropyl)amino]-o-cresol belongs to the cresols, a subclass of phenols within the organic compounds. This benzenoid compound has the formula C13H21NO3 and an average molecular weight of 239.31 g/mol.</description> <cas>93981-17-0</cas> <pubchem-id>3023156</pubchem-id> <chemical-formula>C13H21NO3</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">2026-04-05T07:36:56Z</created-at> <updated-at type="dateTime">2026-04-05T07:36:56Z</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(O)CN(CC(C)O)C1=C(C)C(O)=CC=C1</moldb-smiles> <moldb-formula>C13H21NO3</moldb-formula> <moldb-inchi>InChI=1/C13H21NO3/c1-9(15)7-14(8-10(2)16)12-5-4-6-13(17)11(12)3/h4-6,9-10,15-17H,7-8H2,1-3H3</moldb-inchi> <moldb-inchikey>GNSQRKVWTFNFIY-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">239.315</moldb-average-mass> <moldb-mono-mass type="decimal">239.1521435</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>CHEM096144</chemdb-id> <dsstox-id>DTXSID80916771</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00063267</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>Phenols</klass> <subklass>Cresols</subklass> <paper-count type="integer">0</paper-count> <sync-id>CED0144921</sync-id> <structure-inchikey>GNSQRKVWTFNFIY-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000000000000000000800000000000001000080000000000000000100000080000001000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000010000010000000000004000000040000000000000200000000000000001000040000000800000000000000000000000000000000000000000000000000000000000000040002000080000000000000000000000000000000000000000000000000000002100000000000000000001000000002000000202000000000000000001000000080040000000000000000000000000000000000020000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAARAAAAEQAAAIABBgBgAAAAAQMGAGAAAAAD AQgAYAAAAAEBBgBgAAAAAgIHACgAAAADAwYAYAAAAAICBgBgAAAAAwEGAGAA AAABAwgAYAAAAAEBBkAoAAAAAwQGQCgAAAADBAYAYAAAAAEDBkAoAAAAAwQI AGgAAAADAQEGQGgAAAADAwEGQGgAAAADAwEGQGgAAAADAwELAAEAAQIAAQMA AwQABAUABQYABgcABggABAkgCQpoDAoLAAoMaAwMDSAMDmgMDg9oDA8QaAwQ CWgMQgEAAAAGCRAPDgwKFwQAAAAAAAAAFg== </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:39:10Z</structure-indexed-at> </compound>