Consensus flow list

Atrazine

fo-5770d896cbbd6da3

Identity

Type
NeutralMolecule
CAS
1912-24-9
EC
217-617-8
Origin
EF 3.1 hybrid_name_cas_v1
Changes
58 across every transformer

Structure

Structure diagram for Atrazine

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
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

74

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string MXWJVTOOROXGIU-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C8H14ClN5/c1-4-10-7-12-6(9)13-8(14-7)11-5(2)3/h5H,4H2,1-3H3,(H2,10,11,12,13,14)
IUPAC name chemrof:IUPAC_name 2-CHLORO-4-ISOPROPYLAMINO-6-ETHYLAMINO-1,3,5-TRIAZINE
Molecular formula chemrof:molecular_formula C8H14ClN5
Molecular mass chemrof:molecular_mass 215.688
Monoisotopic mass chemrof:monoisotopic_mass 215.09377, 215.093773
SMILES string chemrof:smiles_string CCNc1nc(Cl)nc(NC(C)C)n1

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=1912-24-9 enrich_references.chebi_xrefs
cdc.gov https://www.cdc.gov/niosh-rtecs/XY557300.html enrich_references.pubchem_identifier_url
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:15930 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.016.017 enrich_references.pubchem_identifier_url
chemicalsafety.ilo.org https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=0099 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID9020112 enrich_references.pubchem_identifier_url
DrugBank https://go.drugbank.com/drugs/DB07392 enrich_references.chebi_xrefs
drugbank.ca https://www.drugbank.ca/drugs/DB07392 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=163046 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL15063 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/QJA9M5H4IM enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0041830 enrich_references.chebi_xrefs
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.685D enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C06551 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C06551 enrich_references.pubchem_identifier_url
lincs.smallmolecule lincs.smallmolecule:LSM-18990 enrich_references.chebi_xrefs
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=49565 enrich_references.pubchem_identifier_url
MetaCyc https://metacyc.org/compound?orgid=META&id=ATRAZINE enrich_references.chebi_xrefs
pdb-ccd pdb-ccd:ATZ enrich_references.chebi_xrefs
platform.opentargets.org https://platform.opentargets.org/drug/CHEMBL15063 enrich_references.pubchem_identifier_url
ppdb ppdb:43 enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/2256 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#2763 enrich_references.pubchem_identifier_url
PubMed https://pubmed.ncbi.nlm.nih.gov/24211529 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24239819 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24246238 enrich_references.chebi_xrefs
reaxys reaxys:612020 enrich_references.chebi_xrefs
umbbd.compound umbbd.compound:c0002 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q408652 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Atrazine enrich_references.chebi_xrefs

Elementary flows

16
Flow Context Source Unit CFs
1f30fd5f-6556-11dd-ad8b-0800200c9a66 Environmental → Air → Aircraft cruise height EF 3.1 kg 6
fe0acd60-3ddc-11dd-a3ce-0050c2490048 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 6
7416de13-2e54-4fe0-9ffd-187ec23297e9 Environmental → Air → Indoor EF 3.1 kg 6
fe0acd60-3ddc-11dd-a3cd-0050c2490048 Environmental → Air → Long-term EF 3.1 kg 0
08a91e70-3ddc-11dd-962e-0050c2490048 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 6
fe0acd60-3ddc-11dd-a3cc-0050c2490048 Environmental → Air → Unknown EF 3.1 kg 6
fe0acd60-3ddc-11dd-a3ca-0050c2490048 Environmental → Ground → Agricultural EF 3.1 kg 6
fe0acd60-3ddc-11dd-9fcd-0050c2490048 Environmental → Ground → Non-agricultural EF 3.1 kg 6
0d14cc52e5b97f14c4f84c6c3e5c6e8dd9e3701d Environmental → Ground → Silvicultural ecoinvent algorithm addition kg 0
fe0acd60-3ddc-11dd-a3cb-0050c2490048 Environmental → Ground → Unknown EF 3.1 kg 6
08a91e70-3ddc-11dd-9630-0050c2490048 Environmental → Water → Long-term EF 3.1 kg 0
fe0acd60-3ddc-11dd-9fce-0050c2490048 Environmental → Water → Ocean EF 3.1 kg 6
0154195c81ce010c96543a13aa9be92a9105ef7c Environmental → Water → River bafu algorithm addition kg 0
08a91e70-3ddc-11dd-962f-0050c2490048 Environmental → Water → Surface water EF 3.1 kg 6
3a55688e1378f8ea30e7f13fbdeff9645073de75 Environmental → Water → Unconfined aquifer ecoinvent algorithm addition kg 0
08a91e70-3ddc-11dd-9631-0050c2490048 Environmental → Water → Unknown EF 3.1 kg 6

History

Everything that changed this substance (58 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-5770d896cbbd6da3",
  "prefLabel": [
    {
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  "altLabel": [
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    {
      "@value": "1,3,5-Triazine-2,4-diamine, 6-chloro-N2-ethyl-N4-(1-methylethyl)-",
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    },
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      "@value": "1-Chloro-3-ethylamino-5-isopropylamino-2,4,6-triazine",
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    },
    {
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    },
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    },
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    },
    {
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    {
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    {
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    },
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      "@value": "2-Ethylamino-4-isopropylamino-6-chloro-1,3,5-triazine",
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    },
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      "@value": "2-ethylamino-4-isopropylamino-6-chloro-s-triazine",
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    },
    {
      "@value": "6-Chloro-4-(ethylamino)-2-(isopropylamino)-s-triazine",
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      }
    },
    {
      "@value": "6-chloro-N-ethyl-N'-(1-methylethyl)-1,3,5-triazine-2,4-diamine",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "6-chloro-N-ethyl-N'-(propan-2-yl)-1,3,5-triazine-2,4-diamine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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      }
    },
    {
      "@value": "6-chloro-N-ethyl-N'-isopropyl-1,3,5-triazine-2,4-diamine",
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      "provenance": {
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        ],
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      }
    },
    {
      "@value": "6-Chloro-N-Ethyl-N′-(1-methylethyl)-1,3,5-triazine-2,4-diamine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "6-Chloro-N2-ethyl-N4-(1-methylethyl)-1,3,5-triazine-2,4-diamine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Aatrax",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "AAtrex",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "AAtrex 4L",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Aatrex 4LC",
      "@language": "en",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Aatrex L",
      "@language": "en",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "AAtrex Nine-O",
      "@language": "en",
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      "provenance": {
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Akticon",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Aktikon",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "https://commonchemistry.cas.org/detail?cas_rn=1912-24-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Aktikon PK",
      "@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": "Aktinit A",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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      }
    },
    {
      "@value": "Aktinit PK",
      "@language": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Argezin",
      "@language": "en",
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        "prov:hadPrimarySource": [
          "ChEBI"
        ],
        "prov:wasDerivedFrom": "http://semanticscience.org/resource/CHEMINF_000446 -> ChEBI RO:0000087"
      }
    },
    {
      "@id": "http://purl.obolibrary.org/obo/CHEBI_25944",
      "rdfs:label": "pesticide",
      "http://www.w3.org/2004/02/skos/core#definition": "Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests.",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_roles",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "ChEBI"
        ],
        "prov:wasDerivedFrom": "http://semanticscience.org/resource/CHEMINF_000446 -> ChEBI RO:0000087"
      }
    }
  ]
}

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