94957 <common-name>3-(Cyclohexylamino)propane-1,2-diol</common-name> <description>3-(Cyclohexylamino)propane-1,2-diol belongs to the cyclohexylamines, a subclass of organonitrogen compounds within the organic compounds. This compound has the chemical formula C9H19NO2 and an average molecular weight of 173.26 g/mol. It is further classified as an organic nitrogen compound.</description> <cas>53052-03-2</cas> <pubchem-id>103729</pubchem-id> <chemical-formula>C9H19NO2</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">2026-04-05T03:05:55Z</created-at> <updated-at type="dateTime">2026-04-05T03:05:55Z</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>OCC(O)CNC1CCCCC1</moldb-smiles> <moldb-formula>C9H19NO2</moldb-formula> <moldb-inchi>InChI=1/C9H19NO2/c11-7-9(12)6-10-8-4-2-1-3-5-8/h8-12H,1-7H2</moldb-inchi> <moldb-inchikey>YDVGXVAWWFKAKA-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">173.256</moldb-average-mass> <moldb-mono-mass type="decimal">173.1415788</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>CHEM090850</chemdb-id> <dsstox-id>DTXSID80967546</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00056840</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>Organic nitrogen compounds</superklass> <klass>Organonitrogen compounds</klass> <subklass>Cyclohexylamines</subklass> <paper-count type="integer">0</paper-count> <sync-id>CED0183619</sync-id> <structure-inchikey>YDVGXVAWWFKAKA-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>60000000000000000000800000000000000000000000000000000002100000000000000000000000000000000000000000000000000800000000000020000000000000000000000000000002000000000000000000000000000000000000000000000000010000000000000000000020000000020000000000000000000000100800000020000000000000000000001080000000000000000000000000000000000000000014000000000000000000000000800000000000000000000000000000000000400000000000000020000000000000000000000000000000000000000000000000000000000000000000000000000000000000400000000000000200</structure-fingerprint> <structure-pattern-fingerprint>202000000000000002000000000080404000000200040000000044000004000800000000001000080000004200020000c30010000443000a0000084110000020000004080100000620000000001004000001200000420000001000c2000040000020000000000502000002000801001002004111800000011000240400000044000000800000008080008100c00424400000000000800000000000043000000004000000008000024201002c0000000410840000000000000021000000004040000000180020000400200000000000000400000000000080100000000080000000000004000000000200400000010004080260000010050000002</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAMAAAADAAAAIABCABgAAAAAQEGAGAAAAAC AgYAYAAAAAMBCABgAAAAAQEGAGAAAAACAgcAYAAAAAIBBgBgAAAAAwEGAGAA AAACAgYAYAAAAAICBgBgAAAAAgIGAGAAAAACAgYAYAAAAAICCwABAAECAAID AAIEAAQFAAUGAAYHAAcIAAgJAAkKAAoLAAsGAEIBAAAABgYLCgkIBxcEAAAA AAAAABY= </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:36:07Z</structure-indexed-at> </compound>