Consensus flow list

Identity

Type
Chemical salt
CAS
7398-69-8
EC
230-993-8
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for Diallyldimethylammonium Chloride

Alternative labels

13

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string GQOKIYDTHHZSCJ-UHFFFAOYSA-M
InChI2D string chemrof:inchi2d_string InChI=1S/C8H16N.ClH/c1-5-7-9(3,4)8-6-2;/h5-6H,1-2,7-8H2,3-4H3;1H/q+1;/p-1
IUPAC name chemrof:IUPAC_name Diallyldimethylammonium Chloride
Molecular formula chemrof:molecular_formula C8H16ClN
Molecular mass chemrof:molecular_mass 161.676
Monoisotopic mass chemrof:monoisotopic_mass 161.097127
SMILES string chemrof:smiles_string C=CC[N+](C)(C)CC=C.[Cl-]

Known URLs

9

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=26062-79-3 enrich_references.pubchem_identifier_url
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=7398-69-8 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.028.176 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID4027650 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=59284 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3185104 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/8MC08B895B enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/33286 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q27270755 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
d74e5a05-7a22-46db-b0e2-6777d4f4ba60 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
e3f49f8b-bc7b-464c-abdf-a3d7ad271b97 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
ed806fae-bd2e-45cd-b8f2-8f768cb58628 Environmental → Air → Indoor EF 3.1 kg 4
bb9702e7-6ee1-4830-9167-65cae489c98f Environmental → Air → Long-term EF 3.1 kg 0
b1e74578-bc8a-464b-b607-0820db4a33c5 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
d4878954-1659-4eda-92d1-08e0227bc257 Environmental → Air → Unknown EF 3.1 kg 4
17adc080-5a1d-4b03-b103-2d2beb8c2c9b Environmental → Ground → Agricultural EF 3.1 kg 4
34a69bfb-d699-406e-91ab-7279c3f9e4ee Environmental → Ground → Non-agricultural EF 3.1 kg 4
3830af27-15a1-4851-8863-dcbe4bc33db6 Environmental → Ground → Unknown EF 3.1 kg 4
4fefe8a3-14d8-432f-aa00-fff9f6852447 Environmental → Water → Long-term EF 3.1 kg 0
7c625bc5-ff81-470b-bcb3-26b7b170fd6f Environmental → Water → Ocean EF 3.1 kg 4
99e3c9f2-6a05-4243-abba-d16b287f4130 Environmental → Water → Surface water EF 3.1 kg 4
6e5a4c0b-f950-41e9-97b6-6eb1cf537459 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (56 changes)

Open the changes page

Full record

Flow object JSON
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      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "ec_numbers"
      }
    }
  },
  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
    "https://w3id.org/chemrof/ChemicalSalt"
  ]
}

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