Consensus flow list

Identity

Type
Neutral molecule
CAS
1445-75-6
EC
215-896-0
Origin
EF 3.1 hybrid_name_cas_v1
Changes
57 across every transformer

Structure

Structure diagram for Diisopropyl Methylphosphonate

Alternative labels

11

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string WOAFDHWYKSOANX-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C7H17O3P/c1-6(2)9-11(5,8)10-7(3)4/h6-7H,1-5H3
IUPAC name chemrof:IUPAC_name Diisopropyl Methylphosphonate
Molecular formula chemrof:molecular_formula C7H17O3P
Molecular mass chemrof:molecular_mass 180.184
Monoisotopic mass chemrof:monoisotopic_mass 180.09153, 180.091531
SMILES string chemrof:smiles_string CC(C)OP(C)(=O)OC(C)C

Known URLs

25

Where 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
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=1445-75-6 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:77325 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.014.451 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID5024051 enrich_references.pubchem_identifier_url
drugbank.ca https://www.drugbank.ca/drugs/DB02127 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1232236 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/56V3OG5DC7 enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0251357 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J95.643K enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=122966 enrich_references.pubchem_identifier_url
platform.opentargets.org https://platform.opentargets.org/drug/CHEMBL1232236 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/3073 enrich_references.pubchem_compound
PubMed https://pubmed.ncbi.nlm.nih.gov/11815800 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/12759102 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/1489525 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/1507268 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24093669 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/7188866 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/7305451 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/7944557 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/8005374 enrich_references.chebi_xrefs
reaxys reaxys:1761635 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q5276479 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q72479520 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Diisopropyl_methylphosphonate enrich_references.chebi_xrefs

Elementary flows

13
Flow Context Source Unit CFs
1f30af3b-6556-11dd-ad8b-0800200c9a66 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
08a91e70-3ddc-11dd-9e71-0050c2490048 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
a8abe878-cae5-4ed4-a439-a8faeefffdd3 Environmental → Air → Indoor EF 3.1 kg 4
08a91e70-3ddc-11dd-9e70-0050c2490048 Environmental → Air → Long-term EF 3.1 kg 0
08a91e70-3ddc-11dd-9e72-0050c2490048 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
08a91e70-3ddc-11dd-9e6f-0050c2490048 Environmental → Air → Unknown EF 3.1 kg 4
08a91e70-3ddc-11dd-9e6d-0050c2490048 Environmental → Ground → Agricultural EF 3.1 kg 4
08a91e70-3ddc-11dd-9e76-0050c2490048 Environmental → Ground → Non-agricultural EF 3.1 kg 4
08a91e70-3ddc-11dd-9e6e-0050c2490048 Environmental → Ground → Unknown EF 3.1 kg 4
08a91e70-3ddc-11dd-9e74-0050c2490048 Environmental → Water → Long-term EF 3.1 kg 0
4d9a8790-3ddd-11dd-8efb-0050c2490048 Environmental → Water → Ocean EF 3.1 kg 4
08a91e70-3ddc-11dd-9e73-0050c2490048 Environmental → Water → Surface water EF 3.1 kg 4
08a91e70-3ddc-11dd-9e75-0050c2490048 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (57 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-a4edd6a3a0765823",
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  "altLabel": [
    {
      "@value": "2-[Isopropoxy(methyl)phosphoryl]oxypropane",
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    {
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    },
    {
      "@value": "Bis(1-methylethyl) methylphosphonate",
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