Hexamethylphosphoric Triamide
fo-9584747cf3c12827
Identity
- Type
- Neutral molecule
- CAS
- 680-31-9
- EC
- 211-653-8
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 58 across every transformer
Structure
What it is used for
2
Roles, not types. A substance bears as many as apply — sulfluramid is an
insecticide and an acaricide — and each is a class ChEBI curates, asserted
with ChEBI’s own has role. The narrow ones publish the broad
ones alongside them, so a substance filed as a herbicide is a pesticide
here too. See agricultural
chemicals for what the axis is and which classes are published.
| Role | Definition | Evidence |
|---|---|---|
| insecticide CHEBI:24852 | Strictly, a substance intended to kill members of the class Insecta. In common usage, any substance used for preventing, destroying, repelling or controlling insects. | ChEBI |
| pesticide CHEBI:25944 | Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests. | ChEBI |
Alternative labels
27- [Bis(dimethylamino)phosphoryl]dimethylamine
- Eastman Inhibitor HPT
- ENT 50,882
- HEMPA
- Hexametapol
- hexamethylorthophosphoric triamide
- Hexamethylphosphoramid
- hexamethylphosphoramide
- hexamethylphosphoric acid triamide
- Hexamethylphosphorotriamide
- Hexamethylphosphorsaeuretriamid
- Hexamethyltriamidophosphate
- HMPA
- HMPT
- HMPTA
- HPT
- Light Stabilizer HPT
- N,N,N',N',N'',N''-hexamethylphosphoric triamide
- N,N,N′,N′,N′′,N′′-Hexamethylphosphoric triamide
- N,N′,N′′-Hexamethylphosphoramide
- phosphoric acid hexamethyltriamide
- phosphoric hexamethyltriamide
- Phosphoric triamide, hexamethyl-
- Phosphoric triamide, N,N,N′,N′,N′′,N′′-hexamethyl-
- phosphoric tris(dimethylamide)
- Phosphoryl hexamethyltriamide
- Tris(dimethylamino)phosphine oxide
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | GNOIPBMMFNIUFM-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C6H18N3OP/c1-7(2)11(10,8(3)4)9(5)6/h1-6H3 |
| IUPAC name chemrof:IUPAC_name | Hexamethylphosphoric Triamide |
| Molecular formula chemrof:molecular_formula | C6H18N3OP |
| Molecular mass chemrof:molecular_mass | 179.204 |
| Monoisotopic mass chemrof:monoisotopic_mass | 179.118749, 179.11875 |
| SMILES string chemrof:smiles_string | CN(C)P(=O)(N(C)C)N(C)C |
Known URLs
23Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.
| Resource | URL | Recorded by |
|---|---|---|
| beilstein | beilstein:1099903 | enrich_references.chebi_xrefs |
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=680-31-9 | enrich_references.chebi_xrefs |
| cdc.gov | https://www.cdc.gov/niosh-rtecs/TDD59F8.html | enrich_references.pubchem_identifier_url |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:24565 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.010.595 | enrich_references.pubchem_identifier_url |
| chemicalsafety.ilo.org | https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=0162 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID6020694 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=113131 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=7967 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3187047 | enrich_references.pubchem_identifier_url |
| gmelin | gmelin:3259 | enrich_references.chebi_xrefs |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/M42TU5843Z | enrich_references.pubchem_identifier_url |
| HMDB | https://hmdb.ca/metabolites/HMDB0253142 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J4.420B | enrich_references.pubchem_identifier_url |
| KEGG | https://www.genome.jp/entry/C19250 | enrich_references.chebi_xrefs |
| kegg.jp | https://www.kegg.jp/entry/C19250 | enrich_references.pubchem_identifier_url |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=53944 | enrich_references.pubchem_identifier_url |
| ncithesaurus.nci.nih.gov | https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C44390 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/12679 | enrich_references.pubchem_compound |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/erg/#2810 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=159841 | enrich_references.pubchem_identifier_url |
| Wikidata | https://www.wikidata.org/wiki/Q416086 | enrich_references.pubchem_identifier_url |
| Wikipedia | https://en.wikipedia.org/wiki/Hexamethylphosphoramide | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| ffa87f25-6a3f-4cc8-85e2-7da6e9807911 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 4 |
| daef115b-71fb-4b56-a93d-79e1e7660f2b | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 4 |
| 351ebee5-376d-4a92-bcb0-1ccaaec701c9 | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| eed5438a-ff31-4a4c-bc44-6228fc144440 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 7d36518f-a9fc-4eff-b828-df2670822860 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 4 |
| 9cbdb04e-ea55-466e-a142-c8ca7e6c0d6f | Environmental → Air → Unknown | EF 3.1 | kg | 4 |
| 713fdd95-2ba2-4804-8d6d-bf6ed5f84343 | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| d7e9b395-1e08-4def-bf4c-360c646d91b9 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| 83e0fd5a-3500-4082-8e3d-025a31de5ca3 | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| 4757adee-8e31-4afa-a5d3-5ca748420643 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| ba20e3c5-12c1-4a24-923c-d4d528108899 | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| 9066347b-320c-4fba-8930-b7760bdc055d | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| 0246ac30-3bf3-463a-ba0e-65784435c2a2 | Environmental → Water → Unknown | EF 3.1 | kg | 4 |
History
Everything that changed this substance (58 changes)
Full record
Flow object JSON
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Something wrong here?
- This substance is published under the wrong name
- This is not that chemical
- This record is two substances, or it is a second copy of one
You do not need to run a build or clone anything. Name the record and say what your evidence is; the measurement is done for you. How contributing works