13502 <common-name>1-Propanaminium, N,N,N-tripropyl-, hydroxide</common-name> <description nil="true"/> <cas>4499-86-9</cas> <pubchem-id nil="true"/> <chemical-formula>C11H18N2O2</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">2016-05-19T03:54:50Z</created-at> <updated-at type="dateTime">2016-11-09T01:14:34Z</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>CCOC(=O)C1=CC(=NN1C)C(C)(C)C</moldb-smiles> <moldb-formula>C11H18N2O2</moldb-formula> <moldb-inchi>InChI=1S/C11H18N2O2/c1-6-15-10(14)8-7-9(11(2,3)4)12-13(8)5/h7H,6H2,1-5H3</moldb-inchi> <moldb-inchikey>JCOHRMJIHAFFBC-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">210.277</moldb-average-mass> <moldb-mono-mass type="decimal">210.136827828</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>CHEM012397</chemdb-id> <dsstox-id nil="true"/> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id nil="true"/> <iupac nil="true"/> <moldb-polar-surface-area>44.120000000000005</moldb-polar-surface-area> <moldb-refractivity>69.9067</moldb-refractivity> <moldb-polarizability>23.947777523454704</moldb-polarizability> <moldb-rotatable-bond-count>4</moldb-rotatable-bond-count> <moldb-acceptor-count>2</moldb-acceptor-count> <moldb-donor-count>0</moldb-donor-count> <moldb-pka-strongest-acidic nil="true"/> <moldb-pka-strongest-basic>1.7342550113744917</moldb-pka-strongest-basic> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>1</moldb-number-of-rings> <moldb-alogps-logp>2.91</moldb-alogps-logp> <moldb-alogps-logs>-2.29</moldb-alogps-logs> <moldb-alogps-solubility>1.07e+00 g/l</moldb-alogps-solubility> </compound>