10153 <common-name>Phosphorodiamidous acid, tetrakis(1-methylethyl)-, 2-cyanoethyl ester</common-name> <description nil="true"/> <cas>102691-36-1</cas> <pubchem-id>128153</pubchem-id> <chemical-formula>C15H32N3OP</chemical-formula> <weight>301.41</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">2016-05-19T02:57:16Z</created-at> <updated-at type="dateTime">2026-08-19T13:14:34Z</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>CC(C)N(C(C)C)P(OCCC#N)N(C(C)C)C(C)C</moldb-smiles> <moldb-formula>C15H32N3OP</moldb-formula> <moldb-inchi>InChI=1S/C15H32N3OP/c1-12(2)17(13(3)4)20(19-11-9-10-16)18(14(5)6)15(7)8/h12-15H,9,11H2,1-8H3</moldb-inchi> <moldb-inchikey>RKVHNYJPIXOHRW-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">301.415</moldb-average-mass> <moldb-mono-mass type="decimal">301.22829966</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>3.3</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>113626</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>CHEM009048</chemdb-id> <dsstox-id>DTXSID8075176</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00023170</susdat-id> <iupac>3-bis[di(propan-2-yl)amino]phosphanyloxypropanenitrile</iupac> <moldb-polar-surface-area>39.5</moldb-polar-surface-area> <moldb-refractivity>88.1026</moldb-refractivity> <moldb-polarizability>34.7372282286194</moldb-polarizability> <moldb-rotatable-bond-count>9</moldb-rotatable-bond-count> <moldb-acceptor-count>4</moldb-acceptor-count> <moldb-donor-count>0</moldb-donor-count> <moldb-pka-strongest-acidic nil="true"/> <moldb-pka-strongest-basic>9.585841019792767</moldb-pka-strongest-basic> <moldb-physiological-charge>1</moldb-physiological-charge> <moldb-number-of-rings>0</moldb-number-of-rings> <moldb-alogps-logp>3.26</moldb-alogps-logp> <moldb-alogps-logs>-2.67</moldb-alogps-logs> <moldb-alogps-solubility>6.38e-01 g/l</moldb-alogps-solubility> </compound>