Brightway Flows 1.0
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2,5-Dimethylaniline

fo-2dc54433e6b38dde

Identity

Type
Neutral molecule
CAS
95-78-3
EC
202-451-0
Origin
EF 3.1 hybrid_name_cas_v1
Changes
57 across every transformer

Structure

Structure diagram for 2,5-Dimethylaniline

Alternative labels

17

Properties

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

Known URLs

25

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=105898-70-2 enrich_references.pubchem_identifier_url
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=95-78-3 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:518305 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.002.229 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.208.101 enrich_references.pubchem_identifier_url
chemicalsafety.ilo.org https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=1686 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID3026306 enrich_references.pubchem_identifier_url
DrugBank https://go.drugbank.com/drugs/DB02163 enrich_references.chebi_xrefs
drugbank.ca https://www.drugbank.ca/drugs/DB02163 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=7639 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL249120 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/XWK0W8DA04 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.572F enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C18993 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C18993 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=52761 enrich_references.pubchem_identifier_url
pdb-ccd pdb-ccd:XYD enrich_references.chebi_xrefs
platform.opentargets.org https://platform.opentargets.org/drug/CHEMBL249120 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/7259 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/17482318 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/20188874 enrich_references.chebi_xrefs
reaxys reaxys:2205178 enrich_references.chebi_xrefs
Wikidata https://www.wikidata.org/wiki/Q4596795 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/2,5-Xylidine enrich_references.chebi_xrefs

Elementary flows

13
Flow Context Source Unit CFs
c7e61769-a10c-4bf6-b140-1eb021b90543 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
e1943ab6-d1e2-41cd-910c-e024b056f7de Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
f8d269df-3902-47df-bc0f-feb73ba6dfe8 Environmental → Air → Indoor EF 3.1 kg 2
a1a87241-a9c5-468e-85aa-91179d0f3072 Environmental → Air → Long-term EF 3.1 kg 0
e5f2d555-9651-4ce3-9e18-671b521a9e03 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
ed8b12a8-6cf4-4c72-b993-9cc2371c4903 Environmental → Air → Unknown EF 3.1 kg 2
a87114f6-930e-44c3-8191-e9c76cd74a7b Environmental → Ground → Agricultural EF 3.1 kg 2
c73f68ec-e580-478f-a7b6-58c7a2f4690d Environmental → Ground → Non-agricultural EF 3.1 kg 2
cba13c8c-9b73-4254-9663-789c1495cebe Environmental → Ground → Unknown EF 3.1 kg 2
64d13f6a-c986-4c92-8d09-e72f80d0daa4 Environmental → Water → Long-term EF 3.1 kg 0
1fba0fe4-3894-4eef-be57-9c5eb08f6716 Environmental → Water → Ocean EF 3.1 kg 2
f184ff45-eb25-4273-9655-a9e12a3bc94f Environmental → Water → Surface water EF 3.1 kg 2
611308ac-23f4-4339-a0ee-0bf61eac5af9 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (57 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-2dc54433e6b38dde",
  "prefLabel": [
    {
      "@value": "2,5-Dimethylaniline",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:95-78-3",
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "Common Chemistry / ChEBI primary name agreement"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "1-amino-2,5-dimethylbenzene",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "2,5-Dimethyl-benzenamine",
      "@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_518305"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "2,5-dimethylbenzenamine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "2,5-dimethylbenzeneamine",
      "@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_518305"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "2,5-dimethylphenylamine",
      "@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_518305"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "2,5-xylidene",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "2,5-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-amino-1,4-dimethylbenzene",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "2-amino-1,4-xylene",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "2-amino-p-xylene",
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      "provenance": {
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      }
    },
    {
      "@value": "3-Amino-1,4-dimethylbenzene",
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    },
    {
      "@value": "5-Amino-1,4-dimethylbenzene",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "5-methyl-o-toluidine",
      "@language": "en",
      "@lang": "en",
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    },
    {
      "@value": "6-methyl-m-toluidine",
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      }
    },
    {
      "@value": "Benzenamine, 2,5-dimethyl-",
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      }
    },
    {
      "@value": "p-dimethylaniline",
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      }
    },
    {
      "@value": "p-xylidine",
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    },
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  },
  "references": [
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