Consensus flow list

Identity

Type
Neutral molecule
CAS
841-06-5
EC
212-664-0
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for Methoprotryne

Alternative labels

16

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string DDUIUBPJPOKOMV-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C11H21N5OS/c1-8(2)13-10-14-9(12-6-5-7-17-3)15-11(16-10)18-4/h8H,5-7H2,1-4H3,(H2,12,13,14,15,16)
IUPAC name chemrof:IUPAC_name 1,3,5-Triazine-2,4-diamine, N-(3-methoxypropyl)-N′-(1-methylethyl)-6-(methylthio)-
Molecular formula chemrof:molecular_formula C11H21N5OS
Molecular mass chemrof:molecular_mass 271.39
Monoisotopic mass chemrof:monoisotopic_mass 271.14668, 271.146681
SMILES string chemrof:smiles_string COCCCNc1nc(NC(C)C)nc(SC)n1

Known URLs

11

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=841-06-5 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:82226 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.011.513 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID2040286 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/31X54QGQ17 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J9.467F enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C19104 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C19104 enrich_references.pubchem_identifier_url
ppdb ppdb:1549 enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/13290 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q22808393 enrich_references.pubchem_identifier_url

Elementary flows

14
Flow Context Source Unit CFs
897c320f-d585-43a0-9a85-ba89550960ef Environmental → Air → Aircraft cruise height EF 3.1 kg 2
0e9c51b5-9fa2-456a-969b-88e83ede6ea0 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
3f10b9d1-e02a-446f-b65f-d7c25a51d926 Environmental → Air → Indoor EF 3.1 kg 2
b46cc6dd-6d7c-4894-8daa-30bf4ff17706 Environmental → Air → Long-term EF 3.1 kg 0
36eb7bd0-5f70-4b85-96f6-0bb71f547add Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
c63ea4cd-a1ca-428d-9bc0-c4ce0f14b5bc Environmental → Air → Unknown EF 3.1 kg 2
2c97d691-4a96-45cc-8564-202898bbc93a Environmental → Ground → Agricultural EF 3.1 kg 2
ff368904-18ca-42b7-957d-e9f925ccd654 Environmental → Ground → Non-agricultural EF 3.1 kg 2
0fe33a8c73dcd24bbc0094a7688a5c86470faf58 Environmental → Ground → Silvicultural ecoinvent algorithm addition kg 0
312711c8-8385-4e63-90d5-80e22a4dfc69 Environmental → Ground → Unknown EF 3.1 kg 2
23996b37-e207-412a-89b1-e4d066ee4be5 Environmental → Water → Long-term EF 3.1 kg 0
30ca6176-f90c-479f-95dc-e0bfcc0bf701 Environmental → Water → Ocean EF 3.1 kg 2
a8346961-f7d5-47d8-a11e-55cb410c0ae0 Environmental → Water → Surface water EF 3.1 kg 2
7413c1a4-6b87-4df6-9dcb-d6a7af4552e4 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (56 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-f432ccaf600ec995",
  "prefLabel": [
    {
      "@value": "Methoprotryne",
      "@language": "en",
      "@lang": "en",
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        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "1,3,5-Triazine-2,4-diamine, N-(3-methoxypropyl)-N′-(1-methylethyl)-6-(methylthio)-",
      "@language": "en",
      "@lang": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1,3,5-Triazine-2,4-diamine, N2-(3-methoxypropyl)-N4-(1-methylethyl)-6-(methylthio)-",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-(Methylthio)-4-(isopropylamino)-6-(3-methoxypropylamino)-s-triazine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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      }
    },
    {
      "@value": "2-Isopropylamino-4-(3-methoxypropylamino)-6-methylthio-s-triazine",
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      }
    },
    {
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    },
    {
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    },
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    },
    {
      "@value": "Gesaran",
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    },
    {
      "@value": "Methoproptryne",
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    },
    {
      "@value": "Methotryne",
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    },
    {
      "@value": "N2-(3-Methoxypropyl)-N4-(1-methylethyl)-6-(methylthio)-1,3,5-triazine-2,4-diamine",
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    },
    {
      "@value": "s-Triazine, 2-(isopropylamino)-4-[(3-methoxypropyl)amino]-6-(methylthio)-",
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  "references": [
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