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2,4-Dimethylaniline

fo-a7e1c477ce294b36

Identity

Type
Neutral molecule
CAS
95-68-1
EC
202-440-0
Origin
EF 3.1 hybrid_name_cas_v1
Changes
58 across every transformer

Structure

Structure diagram for 2,4-Dimethylaniline

Alternative labels

18

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string CZZZABOKJQXEBO-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C8H11N/c1-6-3-4-8(9)7(2)5-6/h3-5H,9H2,1-2H3
IUPAC name chemrof:IUPAC_name 2,4-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 Cc1ccc(N)c(C)c1

Known URLs

19

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=95-68-1 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:27840 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.002.219 enrich_references.pubchem_identifier_url
chemicalsafety.ilo.org https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=1562 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID8026305 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=7640 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1490826 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/367R1L22C9 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J358A enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C11003 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C11003 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=51477 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/7250 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#1711 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=018976 enrich_references.pubchem_identifier_url
PubMed https://pubmed.ncbi.nlm.nih.gov/5598917 enrich_references.chebi_xrefs
reaxys reaxys:636243 enrich_references.chebi_xrefs
Wikidata https://www.wikidata.org/wiki/Q4596780 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/2,4-Xylidine enrich_references.chebi_xrefs

Elementary flows

13
Flow Context Source Unit CFs
d2506ebb-d1b9-4ef5-a333-215704a8418e Environmental → Air → Aircraft cruise height EF 3.1 kg 4
1e2cf1af-d99f-416a-b99b-d09b418af77d Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
280e5eb1-4d13-43b7-bef3-3109bcb9a653 Environmental → Air → Indoor EF 3.1 kg 4
427fcf6b-94ac-4fff-ba89-c293e1bc3e3d Environmental → Air → Long-term EF 3.1 kg 0
0befe624-ba03-4c32-966e-7aea56c69494 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
43793487-aa4a-401c-bb39-6c419aeb3fb4 Environmental → Air → Unknown EF 3.1 kg 4
352aa4dc-1dec-434b-a51e-b922f1e90cd1 Environmental → Ground → Agricultural EF 3.1 kg 4
129c7c70-97dc-46e3-92e6-4b03c0fca4f3 Environmental → Ground → Non-agricultural EF 3.1 kg 4
14f00a23-8766-4b63-a41b-5e463363288e Environmental → Ground → Unknown EF 3.1 kg 4
517d9e0d-d7a0-4fae-b8a7-45f90e1974c4 Environmental → Water → Long-term EF 3.1 kg 0
671082d5-1d9e-4a42-972d-93f833f70888 Environmental → Water → Ocean EF 3.1 kg 4
99f0ad08-d1a7-4822-9bec-15a34336c392 Environmental → Water → Surface water EF 3.1 kg 4
f9978ce9-f57b-4c6f-8007-ac161841d1e1 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-a7e1c477ce294b36",
  "prefLabel": [
    {
      "@value": "2,4-Dimethylaniline",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:95-68-1",
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "Common Chemistry / ChEBI primary name agreement"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "1-amino-2,4-dimethylbenzene",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "http://purl.obolibrary.org/obo/CHEBI_27840"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "2,4-dimethyl-phenylamine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "http://purl.obolibrary.org/obo/CHEBI_27840"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "2,4-dimethylbenzenamine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1",
          "http://purl.obolibrary.org/obo/CHEBI_27840"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "2,4-dimethylbenzene-1-amine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "2,4-dimethylbenzeneamine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "2,4-dimethylphenylamine",
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      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "2,4-DMA",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "2,4-xylidine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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        ],
        "prov:wasDerivedFrom": "original name retained as altLabel"
      }
    },
    {
      "@value": "2,4-xylylamine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "2-methyl-p-toluidine",
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      }
    },
    {
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      }
    },
    {
      "@value": "4-amino-1,3-xylene",
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      }
    },
    {
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      }
    },
    {
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      }
    },
    {
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      }
    },
    {
      "@value": "Benzenamine, 2,4-dimethyl-",
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        ],
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      }
    },
    {
      "@value": "m-4-xylidine",
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  ],
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  "references": [
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