Consensus flow list

Identity

Type
Molecular complex
CAS
6334-11-8
EC
Origin
EF 3.1 hybrid_name_cas_v1
Changes
51 across every transformer

Structure

Structure diagram for 2,4,6-trimethylaniline Hydrochloride

Alternative labels

6

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string WUYJXWRFOUCHEB-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C9H13N.ClH/c1-6-4-7(2)9(10)8(3)5-6;/h4-5H,10H2,1-3H3;1H
IUPAC name chemrof:IUPAC_name 2,4,6-trimethylaniline Hydrochloride
Molecular formula chemrof:molecular_formula C9H14ClN
Molecular mass chemrof:molecular_mass 171.671
Monoisotopic mass chemrof:monoisotopic_mass 171.081477
SMILES string chemrof:smiles_string Cc1cc(C)c(N)c(C)c1.Cl

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=6334-11-8 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.230.964 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID6021400 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=31 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/55G2955X2A enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/22796 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/5284471 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q81983752 enrich_references.pubchem_identifier_url

Elementary flows

12
Flow Context Source Unit CFs
1f31c0a7-6556-11dd-ad8b-0800200c9a66 Environmental → Air → Aircraft cruise height EF 3.1 kg 0
08a91e70-3ddc-11dd-905d-0050c2490048 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 0
08a91e70-3ddc-11dd-905c-0050c2490048 Environmental → Air → Long-term EF 3.1 kg 0
08a91e70-3ddc-11dd-905e-0050c2490048 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 0
08a91e70-3ddc-11dd-905b-0050c2490048 Environmental → Air → Unknown EF 3.1 kg 0
08a91e70-3ddc-11dd-9059-0050c2490048 Environmental → Ground → Agricultural EF 3.1 kg 0
08a91e70-3ddc-11dd-9062-0050c2490048 Environmental → Ground → Non-agricultural EF 3.1 kg 0
08a91e70-3ddc-11dd-905a-0050c2490048 Environmental → Ground → Unknown EF 3.1 kg 0
08a91e70-3ddc-11dd-9060-0050c2490048 Environmental → Water → Long-term EF 3.1 kg 0
08a91e70-3ddc-11dd-9063-0050c2490048 Environmental → Water → Ocean EF 3.1 kg 0
08a91e70-3ddc-11dd-905f-0050c2490048 Environmental → Water → Surface water EF 3.1 kg 0
08a91e70-3ddc-11dd-9061-0050c2490048 Environmental → Water → Unknown EF 3.1 kg 0

History

Everything that changed this substance (51 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-7c84b2f0a88cbe91",
  "prefLabel": [
    {
      "@value": "2,4,6-trimethylaniline Hydrochloride",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "(2,4,6-Trimethylphenyl)amine hydrochloride",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
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          "https://commonchemistry.cas.org/detail?cas_rn=6334-11-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2,4,6-Trimethylanilinium chloride",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Aniline, 2,4,6-trimethyl-, hydrochloride",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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      }
    },
    {
      "@value": "Benzenamine, 2,4,6-trimethyl-, hydrochloride",
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    {
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    },
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}

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