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Ametryn

fo-d228e0c065cbec09

Identity

Type
Neutral molecule
CAS
834-12-8
EC
212-634-7
Origin
EF 3.1 hybrid_name_cas_v1
Changes
60 across every transformer

Structure

Structure diagram for Ametryn

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

29

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string RQVYBGPQFYCBGX-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C9H17N5S/c1-5-10-7-12-8(11-6(2)3)14-9(13-7)15-4/h6H,5H2,1-4H3,(H2,10,11,12,13,14)
IUPAC name chemrof:IUPAC_name 2-(methylthio)-4-(ethylamino)-6-(isopropylamino)-s-triazine
Molecular formula chemrof:molecular_formula C9H17N5S
Molecular mass chemrof:molecular_mass 227.337
Monoisotopic mass chemrof:monoisotopic_mass 227.120467, 227.12047
SMILES string chemrof:smiles_string CCNc1nc(NC(C)C)nc(SC)n1

Known URLs

27

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=834-12-8 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:22472 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.011.486 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID1023869 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=163044 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1235774 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/1SPQ95183Y enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0248288 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.651J enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C18700 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C18700 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=53877 enrich_references.pubchem_identifier_url
MetaCyc https://metacyc.org/compound?orgid=META&id=CPD-9343 enrich_references.chebi_xrefs
pdb-ccd pdb-ccd:RYN enrich_references.chebi_xrefs
pesticides pesticides:ametryn enrich_references.chebi_xrefs
ppdb ppdb:27 enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/13263 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/21626650 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/23566464 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24413480 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24579518 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24757962 enrich_references.chebi_xrefs
reaxys reaxys:613099 enrich_references.chebi_xrefs
umbbd.compound umbbd.compound:c0260 enrich_references.chebi_xrefs
Wikidata https://www.wikidata.org/wiki/Q2844856 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Ametrine enrich_references.pubchem_identifier_url

Elementary flows

16
Flow Context Source Unit CFs
172ad9fc-6556-11dd-ad8b-0800200c9a66 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
08a91e70-3ddc-11dd-9abc-0050c2490048 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
9f5a8e23-e8d3-4aae-b011-48ad789c252f Environmental → Air → Indoor EF 3.1 kg 4
08a91e70-3ddc-11dd-9abb-0050c2490048 Environmental → Air → Long-term EF 3.1 kg 0
08a91e70-3ddc-11dd-9abd-0050c2490048 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
08a91e70-3ddc-11dd-9aba-0050c2490048 Environmental → Air → Unknown EF 3.1 kg 4
08a91e70-3ddc-11dd-9ab8-0050c2490048 Environmental → Ground → Agricultural EF 3.1 kg 4
fe0acd60-3ddc-11dd-a96a-0050c2490048 Environmental → Ground → Non-agricultural EF 3.1 kg 4
3ce68e1845eb38f501ac3350e1a5dcb75daa8496 Environmental → Ground → Silvicultural ecoinvent algorithm addition kg 0
08a91e70-3ddc-11dd-9ab9-0050c2490048 Environmental → Ground → Unknown EF 3.1 kg 4
08a91e70-3ddc-11dd-9abf-0050c2490048 Environmental → Water → Long-term EF 3.1 kg 0
fe0acd60-3ddc-11dd-a96b-0050c2490048 Environmental → Water → Ocean EF 3.1 kg 4
79b1a46e9d084106e70d3bbe68a56d01fd70b464 Environmental → Water → River agribalyse algorithm addition kg 0
08a91e70-3ddc-11dd-9abe-0050c2490048 Environmental → Water → Surface water EF 3.1 kg 4
f51312594eb10e11913374361f1b40a01324ac61 Environmental → Water → Unconfined aquifer stepwise algorithm addition kg 0
fe0acd60-3ddc-11dd-a969-0050c2490048 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (60 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-d228e0c065cbec09",
  "prefLabel": [
    {
      "@value": "Ametryn",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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          "EF 3.1"
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        "prov:wasDerivedFrom": "Common Chemistry / ChEBI primary name agreement"
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  ],
  "altLabel": [
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      "@value": "2-N-Ethyl-6-(methylsulfanyl)-4-N-(propan-2-yl)-1,3,5-triazine-2,4-diamine",
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    },
    {
      "@value": "Amephyt",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
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    },
    {
      "@value": "Ametrex",
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    },
    {
      "@value": "Cemerin",
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    },
    {
      "@value": "Doruplant",
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        ],
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      }
    },
    {
      "@value": "Evik",
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      }
    },
    {
      "@value": "Gesapax",
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        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Metrimex 500SC",
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        ],
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      }
    },
    {
      "@value": "N(2)-ethyl-6-(methylsulfanyl)-N(4)-(propan-2-yl)-1,3,5-triazine-2,4-diamine",
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      }
    },
    {
      "@value": "N(2)-ethyl-N(4)-isopropyl-6-(methylthio)-1,3,5-triazine-2,4-diamine",
      "@language": "en",
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      "provenance": {
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    },
    {
      "@value": "N-ethyl-6-(methylsulfanyl)-N'-(propan-2-yl)-1,3,5-triazine-2,4-diamine",
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    },
    {
      "@value": "N-ethyl-N'-(1-methylethyl)-6-(methylthio)-1,3,5-triazine-2,4-diamine",
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      }
    },
    {
      "@value": "N-ethyl-N'-(1-methylethyl)-6-(methylthio)-2,4-diaminetriazine",
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      "@lang": "en",
      "provenance": {
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    },
    {
      "@value": "N-ethyl-N'-isopropyl-6-(methylthio)-1,3,5-triazine-2,4-diamine",
      "@language": "en",
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      }
    },
    {
      "@value": "N-Ethyl-N′-(1-methylethyl)-6-(methylthio)-1,3,5-triazine-2,4-diamine",
      "@language": "en",
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      }
    },
    {
      "@value": "N2-Ethyl-N4-(1-methylethyl)-6-(methylthio)-1,3,5-triazine-2,4-diamine",
      "@language": "en",
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    },
    {
      "@value": "Primatol Z 80",
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    {
      "@value": "s-Triazine, 2-(ethylamino)-4-(isopropylamino)-6-(methylthio)-",
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      "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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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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