46976 <common-name>3,4,5-TrimethoxyAmphetamine</common-name> <description nil="true"/> <cas>1082-88-8</cas> <pubchem-id>31016</pubchem-id> <chemical-formula>C12H19NO3</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">2016-06-03T13:46:35Z</created-at> <updated-at type="dateTime">2026-05-14T17:06:14Z</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>DB01516</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>COC1=CC(CC(C)N)=CC(OC)=C1OC</moldb-smiles> <moldb-formula>C12H19NO3</moldb-formula> <moldb-inchi>InChI=1S/C12H19NO3/c1-8(13)5-9-6-10(14-2)12(16-4)11(7-9)15-3/h6-8H,5,13H2,1-4H3</moldb-inchi> <moldb-inchikey>WGTASENVNYJZBK-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">225.2842</moldb-average-mass> <moldb-mono-mass type="decimal">225.136493479</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>1.33</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>28775</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>CHEM045871</chemdb-id> <dsstox-id>DTXSID00862529</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin>NIVA/Waters</stoff-ident-origin> <stoff-ident-id>SI00009164</stoff-ident-id> <susdat-id>NS00001100</susdat-id> <iupac>1-(3,4,5-trimethoxyphenyl)propan-2-amine</iupac> <moldb-polar-surface-area>53.71</moldb-polar-surface-area> <moldb-refractivity>63.094800000000006</moldb-refractivity> <moldb-polarizability>24.932140252861274</moldb-polarizability> <moldb-rotatable-bond-count>5</moldb-rotatable-bond-count> <moldb-acceptor-count>4</moldb-acceptor-count> <moldb-donor-count>1</moldb-donor-count> <moldb-pka-strongest-acidic nil="true"/> <moldb-pka-strongest-basic>9.997025497218267</moldb-pka-strongest-basic> <moldb-physiological-charge>1</moldb-physiological-charge> <moldb-number-of-rings>1</moldb-number-of-rings> <moldb-alogps-logp>1.54</moldb-alogps-logp> <moldb-alogps-logs>-2.67</moldb-alogps-logs> <moldb-alogps-solubility>4.79e-01 g/l</moldb-alogps-solubility> </compound>