Consensus flow list

Identity

Type
Chemical salt
CAS
98-04-4
EC
202-630-3
Origin
EF 3.1 hybrid_name_cas_v1
Changes
65 across every transformer

Structure

Structure diagram for N,N,N-trimethylanilinium Iodide

Alternative labels

9

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string KKLAORVGAKUOPZ-UHFFFAOYSA-M
InChI2D string chemrof:inchi2d_string InChI=1S/C9H14N.HI/c1-10(2,3)9-7-5-4-6-8-9;/h4-8H,1-3H3;1H/q+1;/p-1
IUPAC name chemrof:IUPAC_name N,N,N-trimethylanilinium Iodide, Ammonium, trimethylphenyl-, iodide
Molecular formula chemrof:molecular_formula C9H14IN
Molecular mass chemrof:molecular_mass 263.122
Monoisotopic mass chemrof:monoisotopic_mass 263.017097
SMILES string chemrof:smiles_string C[N+](C)(C)c1ccccc1.[I-]

Known URLs

8

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=98-04-4 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.002.392 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID1021825 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=5047 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1710726 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/4O888XQ7FP enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/94135 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q27260285 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
51280d78-8150-487f-b52a-3d052125befa Environmental → Air → Aircraft cruise height EF 3.1 kg 2
9d928fec-5f8e-4fba-a457-b70bdfe7e66e Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
965eeb8a-bed5-406b-9313-14b8208b37ae Environmental → Air → Indoor EF 3.1 kg 2
d8807b78-faa9-402e-a40a-8818b2f3e92c Environmental → Air → Long-term EF 3.1 kg 0
0e982f4d-d797-47bf-adbe-d7c8e1099516 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
e4e2b934-4c42-4773-b5ae-ed3876ff8df1 Environmental → Air → Unknown EF 3.1 kg 2
60adbf9d-3f55-4014-8b51-f8c1d9e4e3c4 Environmental → Ground → Agricultural EF 3.1 kg 2
dcec7d08-268c-4134-9018-79223694c126 Environmental → Ground → Non-agricultural EF 3.1 kg 2
9c1af3e6-0dd8-41c3-9247-653237d7c123 Environmental → Ground → Unknown EF 3.1 kg 2
e0dedf2c-07cb-4785-b556-b042b4426b04 Environmental → Water → Long-term EF 3.1 kg 0
91cfb3f1-28da-4a3f-8aa9-9dab606dddb9 Environmental → Water → Ocean EF 3.1 kg 2
50cab7ae-caef-4115-a59f-811669f6c506 Environmental → Water → Surface water EF 3.1 kg 2
e4fb9e9c-deef-4c7f-ae30-def60b2941f4 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (65 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-83035ed166acbf80",
  "prefLabel": [
    {
      "@value": "N,N,N-trimethylanilinium Iodide",
      "@language": "en",
      "@lang": "en",
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        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "Ammonium, trimethylphenyl-, iodide",
      "@language": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Benzenaminium, N,N,N-trimethyl-, iodide",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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      }
    },
    {
      "@value": "Benzenaminium, N,N,N-trimethyl-, iodide (1:1)",
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "N,N,N-Trimethylaniline iodide",
      "@language": "en",
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    },
    {
      "@value": "N,N-Dimethylaniline methiodide",
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    },
    {
      "@value": "Phenyltrimethylammonium iodide",
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    },
    {
      "@value": "Trimethylanilinium iodide",
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    },
    {
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