Brightway Flows 1.0
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Deethylatrazine

fo-538c0e85e5a65fdf

Identity

Type
Neutral molecule
CAS
6190-65-4
EC
622-793-8
Origin
EF 3.1 hybrid_name_cas_v1
Changes
59 across every transformer

Structure

Structure diagram for Deethylatrazine

Alternative labels

22

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string DFWFIQKMSFGDCQ-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C6H10ClN5/c1-3(2)9-6-11-4(7)10-5(8)12-6/h3H,1-2H3,(H3,8,9,10,11,12)
IUPAC name chemrof:IUPAC_name 2-amino-4-chloro-6-(isopropylamino)-s-triazine
Molecular formula chemrof:molecular_formula C6H10ClN5
Molecular mass chemrof:molecular_mass 187.634
Monoisotopic mass chemrof:monoisotopic_mass 187.06247, 187.062473
SMILES string chemrof:smiles_string CC(C)Nc1nc(N)nc(Cl)n1

Known URLs

19

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=6190-65-4 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:28212 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.151.533 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID5037494 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3184909 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/07PV14BK6X enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0033249 enrich_references.chebi_xrefs
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J285.118K enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C06559 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C06559 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=45957 enrich_references.pubchem_identifier_url
MetaCyc https://metacyc.org/compound?orgid=META&id=CPD-801 enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/22563 enrich_references.pubchem_compound
PubMed https://pubmed.ncbi.nlm.nih.gov/11476505 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/15506812 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/25281136 enrich_references.chebi_xrefs
reaxys reaxys:610488 enrich_references.chebi_xrefs
umbbd.compound umbbd.compound:c0169 enrich_references.chebi_xrefs
Wikidata https://www.wikidata.org/wiki/Q22330060 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
5e91e8fe-737e-4809-969f-b652364864b2 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
e8ee6922-715b-4603-8d9a-d59a3f3b22d5 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
5691f01a-8ea2-4fe8-9b7e-80bbff138f8f Environmental → Air → Indoor EF 3.1 kg 2
cefd8395-79b8-4fdd-ac34-1fb5f59f7609 Environmental → Air → Long-term EF 3.1 kg 0
79e0b4a8-2924-414d-93d8-8a80ab14685b Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
6f32ade3-6162-4fe5-a243-f9240a837905 Environmental → Air → Unknown EF 3.1 kg 2
81208110-c27d-4589-8ce4-0479e07274cb Environmental → Ground → Agricultural EF 3.1 kg 2
7ac27fe7-6503-4c57-a8d0-dd58772b45ba Environmental → Ground → Non-agricultural EF 3.1 kg 2
0f37d359-6952-4f38-a359-4ecacbe10e94 Environmental → Ground → Unknown EF 3.1 kg 2
bc689984-1f40-414b-b848-46ca232ba7cc Environmental → Water → Long-term EF 3.1 kg 0
dbf36335-ad65-4d6c-a5a9-509097fc8686 Environmental → Water → Ocean EF 3.1 kg 2
2687703d-c8af-45d0-a153-2c76d3ede93a Environmental → Water → Surface water EF 3.1 kg 2
0b41358d-c64f-42ec-a313-092b8628987a Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (59 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-538c0e85e5a65fdf",
  "prefLabel": [
    {
      "@value": "Deethylatrazine",
      "@language": "en",
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        ],
        "prov:wasDerivedFrom": "Common Chemistry / ChEBI primary name agreement"
      }
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  ],
  "altLabel": [
    {
      "@value": "1,3,5-Triazine-2,4-diamine, 6-chloro-N-(1-methylethyl)-",
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        ],
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      }
    },
    {
      "@value": "1,3,5-Triazine-2,4-diamine, 6-chloro-N2-(1-methylethyl)-",
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      }
    },
    {
      "@value": "2-amino-4-chloro-6-(isopropylamino)-s-triazine",
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      }
    },
    {
      "@value": "2-chloro-4-amino-6-(isopropylamino)-s-triazine",
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      }
    },
    {
      "@value": "2-Chloro-4-amino-6-isopropylamino-1,3,5-triazine",
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    },
    {
      "@value": "2-Chloro-4-isopropylamino-6-amino-s-triazine",
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    },
    {
      "@value": "2-Isopropylamino-4-amino-6-chloro-1,3,5-triazine",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "4-deethylatrazine",
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    },
    {
      "@value": "6-Amino-2-chloro-4-isopropylamino-s-triazine",
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        ],
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      }
    },
    {
      "@value": "6-chloro-N-(1-methylethyl)-1,3,5-triazine-2,4-diamine",
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    },
    {
      "@value": "6-chloro-N-(propan-2-yl)-1,3,5-triazine-2,4-diamine",
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      }
    },
    {
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    },
    {
      "@value": "6-Chloro-N2-(1-methylethyl)-1,3,5-triazine-2,4-diamine",
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      }
    },
    {
      "@value": "Atrazine-desethyl",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Deethylatratone",
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      }
    },
    {
      "@value": "Deethylatrazin",
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    },
    {
      "@value": "desethyl atrazine",
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    {
      "@value": "Desethylatrazine",
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        "prov:wasDerivedFrom": "original name retained as altLabel"
      }
    },
    {
      "@value": "N-Deethylatrazine",
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      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "s-Chloroaminoisopropylaminotriazine",
      "@language": "en",
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      "provenance": {
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      }
    },
    {
      "@value": "s-Triazine, 2-amino-4-chloro-6-(isopropylamino)-",
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  ],
  "properties": {
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      "rdfs:label": "InChI",
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