Consensus flow list

Identity

Type
Chemical salt
CAS
7173-51-5
EC
230-525-2
Origin
EF 3.1 hybrid_name_cas_v1
Changes
57 across every transformer

Structure

Structure diagram for Didecyldimethylammonium Chloride

Alternative labels

59

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string RUPBZQFQVRMKDG-UHFFFAOYSA-M
InChI2D string chemrof:inchi2d_string InChI=1S/C22H48N.ClH/c1-5-7-9-11-13-15-17-19-21-23(3,4)22-20-18-16-14-12-10-8-6-2;/h5-22H2,1-4H3;1H/q+1;/p-1
IUPAC name chemrof:IUPAC_name Didecyldimethylammonium Chloride
Molecular formula chemrof:molecular_formula C22H48ClN, C22H48N.Cl
Molecular mass chemrof:molecular_mass 362.086
Monoisotopic mass chemrof:monoisotopic_mass 361.347528, 361.34753
SMILES string chemrof:smiles_string CCCCCCCCCC[N+](C)(C)CCCCCCCCCC.[Cl-]

Known URLs

18

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=7173-51-5 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:79935 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.027.751 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID9032537 enrich_references.pubchem_identifier_url
drugcentral.org https://drugcentral.org/drugcard/4416 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL224987 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/JXN40O9Y9B enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C15436 enrich_references.chebi_xrefs
KEGG https://www.genome.jp/entry/D07822 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C15436 enrich_references.pubchem_identifier_url
kegg.jp https://www.kegg.jp/entry/D07822 enrich_references.pubchem_identifier_url
ncithesaurus.nci.nih.gov https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C221939 enrich_references.pubchem_identifier_url
ppdb ppdb:988 enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/23558 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=006134 enrich_references.pubchem_identifier_url
rxnav.nlm.nih.gov https://rxnav.nlm.nih.gov/id/rxnorm/1011450 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q418930 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Didecyldimethylammonium_chloride enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
290550f5-6556-11dd-ad8b-0800200c9a66 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
4d9a8790-3ddd-11dd-8d55-0050c2490048 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
6eb740db-d555-4444-ba3b-5113d36c1025 Environmental → Air → Indoor EF 3.1 kg 4
4d9a8790-3ddd-11dd-8d54-0050c2490048 Environmental → Air → Long-term EF 3.1 kg 0
4d9a8790-3ddd-11dd-8d56-0050c2490048 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
08a91e70-3ddc-11dd-9e09-0050c2490048 Environmental → Air → Unknown EF 3.1 kg 4
08a91e70-3ddc-11dd-9e07-0050c2490048 Environmental → Ground → Agricultural EF 3.1 kg 4
4d9a8790-3ddd-11dd-8d5a-0050c2490048 Environmental → Ground → Non-agricultural EF 3.1 kg 4
08a91e70-3ddc-11dd-9e08-0050c2490048 Environmental → Ground → Unknown EF 3.1 kg 4
4d9a8790-3ddd-11dd-8d58-0050c2490048 Environmental → Water → Long-term EF 3.1 kg 0
4d9a8790-3ddd-11dd-8d92-0050c2490048 Environmental → Water → Ocean EF 3.1 kg 4
4d9a8790-3ddd-11dd-8d57-0050c2490048 Environmental → Water → Surface water EF 3.1 kg 4
4d9a8790-3ddd-11dd-8d59-0050c2490048 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
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      "@value": "DDAC",
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    },
    {
      "@value": "Decamethylammonium chloride",
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    },
    {
      "@value": "Di-n-decyl-dimethylammonium chloride",
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    {
      "@value": "Didecyldimethylammounium chloride",
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    },
    {
      "@value": "Dimethyldidecylammonium chloride",
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      "@value": "Fentacare D 1021",
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