Consensus flow list

Identity

Type
Chemical salt
CAS
56773-42-3
EC
260-375-3
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for N,n,n-triethylethanaminium 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonate

Alternative labels

13

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string JHDXAQHGAJXNBY-UHFFFAOYSA-M
InChI2D string chemrof:inchi2d_string InChI=1S/C8HF17O3S.C8H20N/c9-1(10,3(13,14)5(17,18)7(21,22)23)2(11,12)4(15,16)6(19,20)8(24,25)29(26,27)28;1-5-9(6-2,7-3)8-4/h(H,26,27,28);5-8H2,1-4H3/q;+1/p-1
IUPAC name chemrof:IUPAC_name Ethanaminium, N,N,N-triethyl-, 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-1-octanesulfonate (1:1)
Molecular formula chemrof:molecular_formula C16H20F17NO3S
Molecular mass chemrof:molecular_mass 629.373
Monoisotopic mass chemrof:monoisotopic_mass 629.089244
SMILES string chemrof:smiles_string CC[N+](CC)(CC)CC.O=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F

Known URLs

6

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=56773-42-3 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.054.869 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID5069128 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/UXY49LT8D1 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/92531 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q72481197 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
e826e486-4c70-48c6-8620-db2466fe9636 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
069b33d5-a31f-4ae8-98fb-cebe9d76ca05 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
b1fdd6f9-22f4-4540-8b38-2f5eb384874e Environmental → Air → Indoor EF 3.1 kg 2
0fcc1f7b-7d1a-4ed3-be4e-8efb07090c4e Environmental → Air → Long-term EF 3.1 kg 0
cbad07ec-e7e1-4105-9c9a-5998df02f3f8 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
f3374b7e-d072-4b5a-9d10-a3005c12b222 Environmental → Air → Unknown EF 3.1 kg 2
9a1f9c8c-abb1-4b81-9c2b-79d14870b1bc Environmental → Ground → Agricultural EF 3.1 kg 2
b512dd3f-de3a-4d4c-8791-056927b5f232 Environmental → Ground → Non-agricultural EF 3.1 kg 2
c805f2f5-ae30-4812-b022-38608e32d7e9 Environmental → Ground → Unknown EF 3.1 kg 2
90dd625d-fa7f-4153-b21e-9a64acdfb2ff Environmental → Water → Long-term EF 3.1 kg 0
c55f8499-031a-4756-9dcf-9c169f3c7a02 Environmental → Water → Ocean EF 3.1 kg 2
30e8dda1-ed71-4020-a979-edd5c2125144 Environmental → Water → Surface water EF 3.1 kg 2
70b6641b-ec06-4770-a949-b8a8139faa0a Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (55 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-47e6de7e905cdfcc",
  "prefLabel": [
    {
      "@value": "N,n,n-triethylethanaminium 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonate",
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      }
    }
  ],
  "altLabel": [
    {
      "@value": "1-Octanesulfonic acid, 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-, ion(1-), N,N,N-triethylethanaminium",
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      "@value": "Fluortensid FT 248",
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      "@value": "Perfluorooctanesulfonic acid, tetraethylammonium salt",
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