Brightway Flows 1.0
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Cetrimonium Chloride

fo-01b515cf8efb6d59

Identity

Type
Chemical salt
CAS
112-02-7
EC
203-928-6
Origin
EF 3.1 hybrid_name_cas_v1
Changes
57 across every transformer

Structure

Structure diagram for Cetrimonium Chloride

Alternative labels

79

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string WOWHHFRSBJGXCM-UHFFFAOYSA-M
InChI2D string chemrof:inchi2d_string InChI=1S/C19H42N.ClH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2,3)4;/h5-19H2,1-4H3;1H/q+1;/p-1
IUPAC name chemrof:IUPAC_name Cetyl trimethyl ammonium chloride
Molecular formula chemrof:molecular_formula C19H42ClN, C19H42N.Cl
Molecular mass chemrof:molecular_mass 320.005
Monoisotopic mass chemrof:monoisotopic_mass 319.300578, 319.30058
SMILES string chemrof:smiles_string CCCCCCCCCCCCCCCC[N+](C)(C)C.[Cl-]

Known URLs

27

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=112-02-7 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:53581 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.003.571 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID6026901 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1895807 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/UC9PE95IBP enrich_references.pubchem_identifier_url
kegg.jp https://www.kegg.jp/entry/D07672 enrich_references.pubchem_identifier_url
ncithesaurus.nci.nih.gov https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C83614 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/8154 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#3082 enrich_references.pubchem_identifier_url
PubMed https://pubmed.ncbi.nlm.nih.gov/16112676 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/21850311 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/22149605 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/22440666 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/22805227 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/23072317 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/23303088 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/23325721 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/23771497 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/23934938 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24001670 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/7526642 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/8287131 enrich_references.chebi_xrefs
reaxys reaxys:3657974 enrich_references.chebi_xrefs
rxnav.nlm.nih.gov https://rxnav.nlm.nih.gov/id/rxnorm/1311525 enrich_references.pubchem_identifier_url
Wikidata https://www.wikidata.org/wiki/Q1061007 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Cetrimonium_chloride enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
d723e2a5-9985-437b-9f0c-25c509448b80 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
dd70fccb-7faf-4517-a9a7-ff5219e51f12 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
0714db54-01e1-4b1a-8b7f-4cc5ce882c07 Environmental → Air → Indoor EF 3.1 kg 4
14c48662-484b-46c7-ade0-9058ffdc760f Environmental → Air → Long-term EF 3.1 kg 0
efb57e9f-3355-4366-9bd2-b11b1cdf78f4 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
5ff45c2a-2cfd-4e5e-b601-7f019d281fec Environmental → Air → Unknown EF 3.1 kg 4
f5db7399-1154-4aa4-957d-7199fdc1570b Environmental → Ground → Agricultural EF 3.1 kg 4
921c43a1-46f9-4623-a7b7-ed3b364de301 Environmental → Ground → Non-agricultural EF 3.1 kg 4
2cc386a1-9db7-4b14-b201-606642a3c16d Environmental → Ground → Unknown EF 3.1 kg 4
1b2c7771-e657-453b-b99c-c65a6ff37df2 Environmental → Water → Long-term EF 3.1 kg 0
d2813a9e-5361-4705-91a5-750f232bd8fb Environmental → Water → Ocean EF 3.1 kg 4
4ba75c1f-ac5b-4f17-b822-4c69e7d5231d Environmental → Water → Surface water EF 3.1 kg 4
d26e9718-9c69-424c-8394-44af1f8f2fa4 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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