Consensus flow list

Identity

Type
Neutral molecule
CAS
87-62-7
EC
201-758-7
Origin
EF 3.1 hybrid_name_cas_v1
Changes
58 across every transformer

Structure

Structure diagram for 2,6-Dimethylaniline

Alternative labels

12

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string UFFBMTHBGFGIHF-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C8H11N/c1-6-4-3-5-7(2)8(6)9/h3-5H,9H2,1-2H3
IUPAC name chemrof:IUPAC_name 2,6-Dimethylaniline
Molecular formula chemrof:molecular_formula C8H11N
Molecular mass chemrof:molecular_mass 121.183
Monoisotopic mass chemrof:monoisotopic_mass 121.089149, 121.08915
SMILES string chemrof:smiles_string Cc1cccc(C)c1N

Known URLs

23

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=87-62-7 enrich_references.chebi_xrefs
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=88374-65-6 enrich_references.pubchem_identifier_url
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:28738 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.001.599 enrich_references.pubchem_identifier_url
chemicalsafety.ilo.org https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=1519 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID8026307 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=7098 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1340793 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/4FT62OX08D enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0060677 enrich_references.chebi_xrefs
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J43.456F enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C11004 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C11004 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=51831 enrich_references.pubchem_identifier_url
pharmgkb.org https://www.pharmgkb.org/chemical/PA166182227 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/6896 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#1711 enrich_references.pubchem_identifier_url
PubMed https://pubmed.ncbi.nlm.nih.gov/11765029 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/18490435 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/8374321 enrich_references.chebi_xrefs
reaxys reaxys:636332 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q4353533 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/2,6-Xylidine enrich_references.chebi_xrefs

Elementary flows

13
Flow Context Source Unit CFs
a35ac002-a6d4-4378-a2de-fc1475500349 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
9f555a51-4b26-470e-bde7-87d0e75d63fa Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
16610a92-46d9-42fa-9075-1439f8a6e738 Environmental → Air → Indoor EF 3.1 kg 4
f19a7ada-a039-47d2-8d70-6a2bae74e444 Environmental → Air → Long-term EF 3.1 kg 0
d7741cc9-f548-4cdf-a3e2-8313ae82aa56 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
0a4fb454-abd8-4de0-beb0-b2dc24eebc4e Environmental → Air → Unknown EF 3.1 kg 4
56cc3f90-0a56-401f-a24d-88cd5795784a Environmental → Ground → Agricultural EF 3.1 kg 4
62c0c51f-ed0e-4351-b0f4-38023bff0e91 Environmental → Ground → Non-agricultural EF 3.1 kg 4
fbe44997-d03f-495e-a906-2938b340a644 Environmental → Ground → Unknown EF 3.1 kg 4
76acb24b-ca54-43cb-bb3c-299da3e95f88 Environmental → Water → Long-term EF 3.1 kg 0
9c662026-2478-45e2-a893-ac1ea6319339 Environmental → Water → Ocean EF 3.1 kg 4
d10174b3-1feb-47c7-bc2f-1480ca492876 Environmental → Water → Surface water EF 3.1 kg 4
dac2a1fb-6431-417f-adba-47141830d4b7 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (58 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-e85133e30823d570",
  "prefLabel": [
    {
      "@value": "2,6-Dimethylaniline",
      "@language": "en",
      "@lang": "en",
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          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "Common Chemistry / ChEBI primary name agreement"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "1-amino-2,6-dimethylbenzene",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "2,6-Dimethylaminobenzene",
      "@language": "en",
      "@lang": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2,6-dimethylbenzenamine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "2,6-dimethylphenylamine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "2,6-DMA",
      "@language": "en",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
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      "@language": "en",
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        "prov:hadPrimarySource": [
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        "prov:wasDerivedFrom": "original name retained as altLabel"
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    },
    {
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      }
    },
    {
      "@value": "2-amino-1,3-dimethylbenzene",
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    },
    {
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      "provenance": {
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        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
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    {
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