5400 <common-name>Hexamethylphosphoramide</common-name> <description>Hexamethylphosphoramide (C6H18N3OP) is a chemical compound with an average molecular weight of 179.20 g/mol. Hexamethylphosphoramide belongs to the organic phosphoramides, a subclass of organic phosphoric acids and derivatives within the organic compounds. Industrially, the compound serves as a Lewis base (PMC4033666). The substance is used in several types of plastics, including Polyvinyl Chloride, Polystyrene, Polypropylene, Low-Density Polyethylene, and High-Density Polyethylene. It has been identified in 24 recorded sources, which include roofs in building and construction, drinking water and water supply, and food, food processing and cookware, specifically the treatment of hops and fermentation processes for beer. Additionally, it is found in household cleaning and consumer products, such as soap detergents, bleaching agents, tobacco smoke filters, and perfumes within detergents and soaps. It is also released from electrical and electronic equipment, including amplifiers, antennas, coils, auxiliary devices, and communication cables or conductors, among 11 other sources. The recorded exposure route for this compound is oral.</description> <cas>680-31-9</cas> <pubchem-id>12679</pubchem-id> <chemical-formula>C6H18N3OP</chemical-formula> <weight>179.2</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">2016-05-19T01:40:18Z</created-at> <updated-at type="dateTime">2026-08-23T08:03:08Z</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>CN(C)P(=O)(N(C)C)N(C)C</moldb-smiles> <moldb-formula>C6H18N3OP</moldb-formula> <moldb-inchi>InChI=1S/C6H18N3OP/c1-7(2)11(10,8(3)4)9(5)6/h1-6H3</moldb-inchi> <moldb-inchikey>GNOIPBMMFNIUFM-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">179.204</moldb-average-mass> <moldb-mono-mass type="decimal">179.11874921</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>0.3</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>12158</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>CHEM004295</chemdb-id> <dsstox-id>DTXSID6020694</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00022666</susdat-id> <iupac>N-[bis(dimethylamino)phosphoryl]-N-methylmethanamine</iupac> <moldb-polar-surface-area>26.79</moldb-polar-surface-area> <moldb-refractivity>48.6383</moldb-refractivity> <moldb-polarizability>18.570416831693343</moldb-polarizability> <moldb-rotatable-bond-count>3</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>0.8729967004581006</moldb-pka-strongest-basic> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>0</moldb-number-of-rings> <moldb-alogps-logp>0.03</moldb-alogps-logp> <moldb-alogps-logs>-0.48</moldb-alogps-logs> <moldb-alogps-solubility>5.99e+01 g/l</moldb-alogps-solubility> <kingdom>Organic compounds</kingdom> <superklass>Organic acids and derivatives</superklass> <klass>Organic phosphoric acids and derivatives</klass> <subklass>Organic phosphoramides</subklass> <paper-count type="integer">796</paper-count> <sync-id>CED0009330</sync-id> <structure-inchikey>GNOIPBMMFNIUFM-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>80000000000000000000000000000000000000000000000000000000000000000000000002000000000000008000000000000000000000000020000000000000000000000000000000000000000000000000000000004000000000000000000000000000000000000000000040000000000000000000000000100000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000010002000080000000000000000000000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>100080000102820080000040000820000000140001040000002000408000000c440000d012800000000001080080000004200100008c02050000443000a0400084110400100006000010100000620200000004805100123200000420040000000c0000030048020000000002c0100000280480100101c0041118000000100802004001080c500200080402000800000818040012440014020100090000000080024300000000400100000800002c201002c0000081010800100002100800020004000484040000020080000014010080000000000000500204000000080000001000001000000000000000011010000000000010004000000000100050000000</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ�������������������� ���€���`������� ������`������� ������(������� ������`�������`������� ������`�������`�������������������������������� �� �B��������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:01:53Z</structure-indexed-at> </compound>