Difenzoquat
fo-e6e3bec882a08e1e
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
Alternative labels
3- 1,2-dimethyl-3,5-diphenyl-1H-pyrazolium
- 1H-Pyrazolium, 1,2-dimethyl-3,5-diphenyl-
- Avenge CP
Properties
| Property | Value |
|---|---|
| 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
13Where 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 | 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)
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