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Pendimethalin

fo-31ed2c7afc3c526b

Identity

Type
Neutral molecule
CAS
40487-42-1
EC
254-938-2
Origin
EF 3.1 hybrid_name_cas_v1
Changes
58 across every transformer

Structure

Structure diagram for Pendimethalin

What it is used for

4

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
agrochemical CHEBI:33286 An agrochemical is a substance that is used in agriculture or horticulture. ChEBI
environmental contaminant CHEBI:78298 Any minor or unwanted substance introduced into the environment that can have undesired effects. ChEBI
herbicide CHEBI:24527 A substance used to destroy plant pests. 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

35

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string CHIFOSRWCNZCFN-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C13H19N3O4/c1-5-10(6-2)14-12-11(15(17)18)7-8(3)9(4)13(12)16(19)20/h7,10,14H,5-6H2,1-4H3
IUPAC name chemrof:IUPAC_name 3,4-Dimethyl-2,6-dinitro-N-(1-ethylpropyl)aniline
Molecular formula chemrof:molecular_formula C13H19N3O4
Molecular mass chemrof:molecular_mass 281.312
Monoisotopic mass chemrof:monoisotopic_mass 281.137556, 281.13756
SMILES string chemrof:smiles_string CCC(CC)Nc1c([N+](=O)[O-])cc(C)c(C)c1[N+](=O)[O-]

Known URLs

30

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=40487-42-1 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:83569 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.049.927 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID7024245 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1256630 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/VL6L14C06U enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0256221 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.892I enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C11019 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C11019 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=164043 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=67727 enrich_references.pubchem_identifier_url
pesticides pesticides:pendimethalin enrich_references.chebi_xrefs
ppdb ppdb:511 enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/38479 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#3077 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=033041 enrich_references.pubchem_identifier_url
PubMed https://pubmed.ncbi.nlm.nih.gov/22983723 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/23646829 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24007481 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24183287 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24240661 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24293324 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24587520 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24688423 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/25145238 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/25398239 enrich_references.chebi_xrefs
reaxys reaxys:2157711 enrich_references.chebi_xrefs
Wikidata https://www.wikidata.org/wiki/Q423895 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Pendimethalin enrich_references.chebi_xrefs

Elementary flows

16
Flow Context Source Unit CFs
3e4d507b-6556-11dd-ad8b-0800200c9a66 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
4d9a8790-3ddd-11dd-9629-0050c2490048 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
a93e0b6b-6e1b-4e17-a755-0c758a3cc43e Environmental → Air → Indoor EF 3.1 kg 4
4d9a8790-3ddd-11dd-9628-0050c2490048 Environmental → Air → Long-term EF 3.1 kg 0
4d9a8790-3ddd-11dd-962a-0050c2490048 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
4d9a8790-3ddd-11dd-9627-0050c2490048 Environmental → Air → Unknown EF 3.1 kg 4
fe0acd60-3ddc-11dd-ae39-0050c2490048 Environmental → Ground → Agricultural EF 3.1 kg 4
fe0acd60-3ddc-11dd-ae3e-0050c2490048 Environmental → Ground → Non-agricultural EF 3.1 kg 4
c00ae4934c5eed7f35ec494a978a43adbd698f65 Environmental → Ground → Silvicultural ecoinvent algorithm addition kg 0
fe0acd60-3ddc-11dd-ae3a-0050c2490048 Environmental → Ground → Unknown EF 3.1 kg 4
fe0acd60-3ddc-11dd-ae3c-0050c2490048 Environmental → Water → Long-term EF 3.1 kg 0
fe0acd60-3ddc-11dd-a08c-0050c2490048 Environmental → Water → Ocean EF 3.1 kg 4
9966a372efb89538118fea6fd96f24acdb3ba8b0 Environmental → Water → River agribalyse algorithm addition kg 0
fe0acd60-3ddc-11dd-ae3b-0050c2490048 Environmental → Water → Surface water EF 3.1 kg 4
9bd07ac882081cd3db11056ab7e020bd364fd1ce Environmental → Water → Unconfined aquifer ecoinvent algorithm addition kg 0
fe0acd60-3ddc-11dd-ae3d-0050c2490048 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-31ed2c7afc3c526b",
  "prefLabel": [
    {
      "@value": "Pendimethalin",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "3,4-Dimethyl-2,6-dinitro-N-(1-ethylpropyl)aniline",
      "@language": "en",
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        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "3,4-Dimethyl-2,6-dinitro-N-(1′-ethylpropyl)aniline",
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "3,4-Dimethyl-2,6-dinitro-N-(3-pentanyl)aniline",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "3,4-dimethyl-2,6-dinitro-N-(pentan-3-yl)aniline",
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      "@value": "Accotab",
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      "@value": "Activus EC",
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    {
      "@value": "Acumen",
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    },
    {
      "@value": "Benzenamine, N-(1-ethylpropyl)-3,4-dimethyl-2,6-dinitro-",
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      }
    },
    {
      "@value": "Gogosan",
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      }
    },
    {
      "@value": "Herbadox",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Most Micro",
      "@language": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "N-(1-Ethylpropyl)-2,6-dinitro-3,4-xylidine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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      }
    },
    {
      "@value": "N-(1-Ethylpropyl)-3,4-dimethyl-2,6-dinitroaniline",
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "N-(1-Ethylpropyl)-3,4-dimethyl-2,6-dinitrobenzenamine",
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      "@lang": "en",
      "provenance": {
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        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "N-(3-Pentyl)-3,4-dimethyl-2,6-dinitroaniline",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
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          "EF 3.1",
          "http://purl.obolibrary.org/obo/CHEBI_83569"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Ornamental Weedgrass Control",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:40487-42-1",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=40487-42-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "OWC",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:40487-42-1",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=40487-42-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Panida",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:40487-42-1",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=40487-42-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Panida 330EC",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:40487-42-1",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=40487-42-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Pendimax",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:40487-42-1",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=40487-42-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "pendimethaline",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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          "http://purl.obolibrary.org/obo/CHEBI_83569"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Pendulum",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=40487-42-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Pendulum 2G",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=40487-42-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Penoxalin",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Penoxaline",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Penoxyn",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Phenoxalin",
      "@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_83569"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Prowl",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=40487-42-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Prowl 3.3",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Prowl H2O",
      "@language": "en",
      "@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=40487-42-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Southern Weed Grass Control",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:40487-42-1",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=40487-42-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Stomp",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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          "EF 3.1",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Stomp 330EC",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=40487-42-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
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  "origin_qualifier": null,
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  "parent_intervention_id": null,
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    {
      "@value": "A member of the class of substituted anilines that is N-(pentan-3-yl)aniline bearing two additional nitro substituents at positions 2 and 6 as well as two methyl substituents at positions 3 and 4. A herbicide used to control most annual grasses and many annual broad-leaved weeds.",
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    },
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      }
    }
  ]
}

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You do not need to run a build or clone anything. Name the record and say what your evidence is; the measurement is done for you. How contributing works

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