Consensus flow list

Identity

Type
Molecular cation
CAS
49866-87-7
EC
256-505-3
Origin
EF 3.1 hybrid_name_cas_v1
Changes
70 across every transformer

Structure

Structure diagram for Difenzoquat

Alternative labels

3

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 1
InChI2D key string chemrof:inchi2d_key_string JARFAUHJHIUGCO-UHFFFAOYSA-O, LBGPXIPGGRQBJW-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C17H18N2/c1-18-16(14-9-5-3-6-10-14)13-17(19(18)2)15-11-7-4-8-12-15/h3-13,16H,1-2H3/p+1
IUPAC name chemrof:IUPAC_name 1,2-dimethyl-3,5-diphenyl-1H-pyrazolium, 1,2-dimethyl-3,5-diphenyl-1h-pyrazolium
Molecular formula chemrof:molecular_formula C17H17N2, C17H17N2+, C17H19N2+
SMILES string chemrof:smiles_string CN1C(c2ccccc2)C=C(c2ccccc2)[NH+]1C

Known URLs

13

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=49866-87-7 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:81910 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.051.352 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID6043965 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL2096924 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/54NE792QN5 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J10.360H enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C18717 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C18717 enrich_references.pubchem_identifier_url
ppdb ppdb:232 enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/39425 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q27155656 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Difenzoquat enrich_references.pubchem_identifier_url

Elementary flows

14
Flow Context Source Unit CFs
244c3486-4856-423e-8b70-04bacbbd224f Environmental → Air → Aircraft cruise height EF 3.1 kg 2
ad1964b7-3fe4-4066-8a9d-645886c10bf3 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
70d68980-e439-4739-9a56-90ae44a04983 Environmental → Air → Indoor EF 3.1 kg 2
7c720fac-6d18-4ed4-9717-257df32e5d9d Environmental → Air → Long-term EF 3.1 kg 0
dce4eb15-07eb-4503-8da0-6afcb7ad6bc0 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
614f7dee-7ff0-41f3-a871-1cc8bc690d64 Environmental → Air → Unknown EF 3.1 kg 2
38a78d49-e53f-44d9-93f2-d59ca7c6d3bb Environmental → Ground → Agricultural EF 3.1 kg 2
9ef2bc02-011f-496d-b723-a495ddecb819 Environmental → Ground → Non-agricultural EF 3.1 kg 2
f08631540c6396567040393846e81b81c7b0a9c1 Environmental → Ground → Silvicultural ecoinvent algorithm addition kg 0
0aa0b36f-5cd3-48e5-8c04-c25d2d35ff49 Environmental → Ground → Unknown EF 3.1 kg 2
4308f7d4-a43d-42ee-acbc-1223bc4e7de1 Environmental → Water → Long-term EF 3.1 kg 0
a1d85a74-d59c-4db1-8b7c-0618fcdee155 Environmental → Water → Ocean EF 3.1 kg 2
0e8d9697-b745-43f1-80c0-64bc9fe7b8dd Environmental → Water → Surface water EF 3.1 kg 2
3c59d682-3a0c-40e5-8372-6f36b41e6f7f Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (70 changes)

Open the changes page

Full record

Flow object JSON
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  "altLabel": [
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        "prov:wasDerivedFrom": "original name retained as altLabel"
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    },
    {
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