<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">90629</id>
  <title nil="true"/>
  <common-name>2-(Dimethylamino)propan-1-ol</common-name>
  <description>2-(Dimethylamino)propan-1-ol belongs to the amines, a subclass of organonitrogen compounds within the organic compounds. It has the chemical formula C5H13NO and an average molecular weight of 103.17 g/mol.</description>
  <cas>15521-18-3</cas>
  <pubchem-id>85865</pubchem-id>
  <chemical-formula>C5H13NO</chemical-formula>
  <weight>103.16</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">2026-04-05T00:23:58Z</created-at>
  <updated-at type="dateTime">2026-08-22T21:02:27Z</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(CO)N(C)C</moldb-smiles>
  <moldb-formula>C5H13NO</moldb-formula>
  <moldb-inchi>InChI=1/C5H13NO/c1-5(4-7)6(2)3/h5,7H,4H2,1-3H3</moldb-inchi>
  <moldb-inchikey>PBKGYWLWIJLDGZ-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">103.165</moldb-average-mass>
  <moldb-mono-mass type="decimal">103.099714</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>0</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>CHEM086522</chemdb-id>
  <dsstox-id>DTXSID20871239</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00051748</susdat-id>
  <iupac>2-(dimethylamino)propan-1-ol</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>Amines</subklass>
  <paper-count type="integer">2</paper-count>
  <sync-id>CED0050126</sync-id>
  <structure-inchikey>PBKGYWLWIJLDGZ-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>40000000000000000000800000000000000000000000000000000002000000000000001000000000000000000000000000000000000000000000000020000000000000000000000040000000000000000000000000000000000000000000000000000000010000000000000000004000000000000000000000000000000000000000000040000000000000000000000000100000000000000000000000000040000000000200000000000000001000000000000000000000800000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>2000000000000000000000000000004000000200040000000000000004000800000000000000080000004200001000c000100004400008000008011000000000000000000000062000000000000400000020000000000000100042000000000000000001000502000002000801001002004111800000010000200400000040000000000000008000000100400024400000000000800000000000043000000004000000008000020001002c0000000000800000000100000000000100000040000000000020000400000000000000000400000000000080100000000080000000000000000000000000000000000004000200000000050000002</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€���`�������`�������`�������`������� ������`�������`������������������������B��������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T04:33:21Z</structure-indexed-at>
</compound>
