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N,N-diethyl-m-toluamide

fo-0dd1c8102f11fedb

Identity

Type
Neutral molecule
CAS
134-62-3
EC
205-149-7
Origin
EF 3.1 hybrid_name_cas_v1
Changes
66 across every transformer

Structure

Structure diagram for N,N-diethyl-m-toluamide

What it is used for

3

Roles, not types. A substance bears as many as apply — sulfluramid is an insecticide and an acaricide — and each is a class ChEBI curates, asserted with ChEBI’s own has role. The narrow ones publish the broad ones alongside them, so a substance filed as a herbicide is a pesticide here too. See agricultural chemicals for what the axis is and which classes are published.

Role Definition Evidence
environmental contaminant CHEBI:78298 Any minor or unwanted substance introduced into the environment that can have undesired effects. ChEBI
insecticide CHEBI:24852 Strictly, a substance intended to kill members of the class Insecta. In common usage, any substance used for preventing, destroying, repelling or controlling insects. ChEBI
pesticide CHEBI:25944 Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests. ChEBI

Alternative labels

49

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string MMOXZBCLCQITDF-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C12H17NO/c1-4-13(5-2)12(14)11-8-6-7-10(3)9-11/h6-9H,4-5H2,1-3H3
IUPAC name chemrof:IUPAC_name N,N-diethyl-m-toluamide, 3-methyl-N,N-diethylbenzamide
Molecular formula chemrof:molecular_formula C12H17NO
Molecular mass chemrof:molecular_mass 191.274
Monoisotopic mass chemrof:monoisotopic_mass 191.13101, 191.131014
SMILES string chemrof:smiles_string CCN(CC)C(=O)c1cccc(C)c1

Known URLs

52

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
agr agr:IND603426025 enrich_references.chebi_xrefs
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=134-62-3 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:7071 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.004.682 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID2021995 enrich_references.pubchem_identifier_url
drugbank.ca https://www.drugbank.ca/drugs/DB11282 enrich_references.pubchem_identifier_url
drugcentral drugcentral:4418 enrich_references.chebi_xrefs
drugcentral.org https://drugcentral.org/drugcard/4418 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=33840 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=759564 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1453317 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/FB0C1XZV4Y enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0250930 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J5.598K enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C10935 enrich_references.chebi_xrefs
KEGG https://www.genome.jp/entry/D02379 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C10935 enrich_references.pubchem_identifier_url
kegg.jp https://www.kegg.jp/entry/D02379 enrich_references.pubchem_identifier_url
lincs.smallmolecule lincs.smallmolecule:LSM-4114 enrich_references.chebi_xrefs
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=50010 enrich_references.pubchem_identifier_url
ncithesaurus.nci.nih.gov https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C80601 enrich_references.pubchem_identifier_url
pdb-ccd pdb-ccd:DE3 enrich_references.chebi_xrefs
pesticides pesticides:diethyltoluamide enrich_references.chebi_xrefs
platform.opentargets.org https://platform.opentargets.org/drug/CHEMBL1453317 enrich_references.pubchem_identifier_url
ppdb ppdb:1190 enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/4284 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=167532 enrich_references.pubchem_identifier_url
PubMed https://pubmed.ncbi.nlm.nih.gov/20797533 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/20963476 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/21937991 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/22289669 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/23167529 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/23261834 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/23407786 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/23437043 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/2499696 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/25748344 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/26467804 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/27138630 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/27345502 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/27510858 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/27639850 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/27657095 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/28676765 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/29077936 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/30395919 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/3352115 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/7564300 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/8187533 enrich_references.chebi_xrefs
reaxys reaxys:2046711 enrich_references.chebi_xrefs
Wikidata https://www.wikidata.org/wiki/Q408389 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/DEET enrich_references.chebi_xrefs

Elementary flows

14
Flow Context Source Unit CFs
918a3a11-b750-44c3-bf60-1f81335649bf Environmental → Air → Aircraft cruise height EF 3.1 kg 2
47998de4-8f71-408d-b8e4-6cf50ee822d7 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
f6af8a24-150d-4c70-81d4-1f455efef9f8 Environmental → Air → Indoor EF 3.1 kg 2
2f81bda8-4c7c-4149-bfd1-8bb43041442f Environmental → Air → Long-term EF 3.1 kg 0
277f5662-1bd8-4158-9b76-65da9ce95c8d Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
517f73e8-408f-450a-9714-a9c7ce5101f2 Environmental → Air → Unknown EF 3.1 kg 2
b437a490-136b-46bc-bb4c-1f3837477447 Environmental → Ground → Agricultural EF 3.1 kg 2
98c5e4cf-a26d-4c49-a9c1-4042caa4b24e Environmental → Ground → Non-agricultural EF 3.1 kg 2
b979502ab5898d1c507100925ba487b77186d461 Environmental → Ground → Silvicultural ecoinvent algorithm addition kg 0
9de97e2f-c0c6-4ed8-9008-0749a1ab2fe5 Environmental → Ground → Unknown EF 3.1 kg 2
22d474fc-9538-4533-97c6-722e8eded822 Environmental → Water → Long-term EF 3.1 kg 0
db57d877-6b77-4717-81e0-f9bd212865fa Environmental → Water → Ocean EF 3.1 kg 2
3997080e-6aca-409e-b899-0b57062f8f32 Environmental → Water → Surface water EF 3.1 kg 2
87ea1264-874d-4264-8ca4-44afdbc8a6aa Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (66 changes)

Open the changes page

Full record

Flow object JSON 
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    {
      "@value": "Cutter Unscented",
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    {
      "@value": "DEET",
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    },
    {
      "@value": "Delphene",
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      "@value": "DET (insect repellent)",
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    },
    {
      "@value": "Dieltamid",
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          "https://commonchemistry.cas.org/detail?cas_rn=134-62-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "diethyl toluamide",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Diethyl-m-toluamide",
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      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=134-62-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "diethyltoluamide",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "diethyltoluamidum",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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          "http://purl.obolibrary.org/obo/CHEBI_7071"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "dietiltoluamida",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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          "http://purl.obolibrary.org/obo/CHEBI_7071"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Finish MIT",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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          "https://commonchemistry.cas.org/detail?cas_rn=134-62-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Flypel",
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      "@lang": "en",
      "provenance": {
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          "http://purl.obolibrary.org/obo/CHEBI_7071"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "m-Delphene",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
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          "http://purl.obolibrary.org/obo/CHEBI_7071"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "M-Det",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:134-62-3",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=134-62-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "m-DETA",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:134-62-3",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=134-62-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "m-Toluamide, N,N-diethyl-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:134-62-3",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=134-62-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "m-Toluic acid diethylamide",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:134-62-3",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=134-62-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Metadelfene",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:134-62-3",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=134-62-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Metadelphene",
      "@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_7071"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Muscol",
      "@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_7071"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "N,N-diethyl-3-methylbenzamide",
      "@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_7071"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "N,N-Diethyl-3-methylbenzoylamide",
      "@language": "en",
      "@lang": "en",
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}

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