Consensus flow list

Identity

Type
NeutralMolecule
CAS
24602-86-6
EC
246-347-3
Origin
EF 3.1 hybrid_name_cas_v1
Changes
60 across every transformer

Structure

Structure diagram for 2,6-Dimethyl-4-tridecylmorpholine

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
agrochemical CHEBI:33286 An agrochemical is a substance that is used in agriculture or horticulture. ChEBI
fungicide CHEBI:24127 A substance used to destroy fungal 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

3

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string YTOPFCCWCSOHFV-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C19H39NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-20-16-18(2)21-19(3)17-20/h18-19H,4-17H2,1-3H3
IUPAC name chemrof:IUPAC_name 2,6-Dimethyl-4-tridecylmorpholine
Molecular formula chemrof:molecular_formula C19H39NO
Molecular mass chemrof:molecular_mass 297.527
Monoisotopic mass chemrof:monoisotopic_mass 297.30316, 297.303165
SMILES string chemrof:smiles_string CCCCCCCCCCCCCN1CC(C)OC(C)C1

Known URLs

16

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=24602-86-6 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:83365 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.042.119 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.110.105 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID3041376 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=232676 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL2286765 enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0031810 enrich_references.chebi_xrefs
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J20.161H enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C11285 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C11285 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=45121 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/32518 enrich_references.pubchem_compound
reaxys reaxys:608429 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q209280 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Tridemorph enrich_references.pubchem_identifier_url

Elementary flows

14
Flow Context Source Unit CFs
f54e71d9-b5be-4a42-84f0-2ac2d7e47be4 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
d4939292-b130-424a-88da-e8086993108c Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
a0955f93-2bf8-48c5-8278-854932bc59a0 Environmental → Air → Indoor EF 3.1 kg 2
2d53b2c9-222f-40c9-ac2f-55be45f9899f Environmental → Air → Long-term EF 3.1 kg 0
0555b3b4-e553-4607-aa5b-6febca2ac454 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
195462e1-715a-463f-8933-f7e23c892448 Environmental → Air → Unknown EF 3.1 kg 2
fee4c355-9382-47e7-898b-1a2f923ca460 Environmental → Ground → Agricultural EF 3.1 kg 2
8d96fb52-8e31-45c0-a50a-5b0ec3bea6a1 Environmental → Ground → Non-agricultural EF 3.1 kg 2
31167d83910da3118b7aea1b3950ac2df106c354 Environmental → Ground → Silvicultural ecoinvent algorithm addition kg 0
f6fa96c3-0c15-4ca1-95b1-8eb82d0cb3d1 Environmental → Ground → Unknown EF 3.1 kg 2
66785a20-0bd9-403e-a845-b52da4740f26 Environmental → Water → Long-term EF 3.1 kg 0
02ca16ce-8aef-4233-8df7-129e55709a7f Environmental → Water → Ocean EF 3.1 kg 2
ab8fcafd-0446-42de-ad86-f6cb68f3c3e6 Environmental → Water → Surface water EF 3.1 kg 2
20725852-8357-400d-adb7-387181b3c329 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (60 changes)

Open the changes page

Full record

Flow object JSON
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  ],
  "altLabel": [
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      "@value": "(2Xi,6Xi)-2,6-dimethyl-4-tridecylmorpholine",
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    },
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      "@value": "Morpholine, 2,6-dimethyl-4-tridecyl-",
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      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=24602-86-6"
      ],
      "http://www.w3.org/2004/02/skos/core#exactMatch": [
        {
          "@id": "https://commonchemistry.cas.org/detail?cas_rn=24602-86-6"
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      ],
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    },
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        ],
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    }
  },
  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "http://www.w3.org/2004/02/skos/core#definition": [
    {
      "@value": "A member of the class of morpholines that is 2,6-dimethylmorpholine in which the hydrogen attached to the nitrogen is replaced by a tridecyl group. The configuration at positions 2 and 6 is unknown or unspecified.",
      "@language": "en",
      "provenance": {
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        "prov:wasDerivedFrom": "chebi.definition"
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  ],
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  ],
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    {
      "@id": "http://purl.obolibrary.org/obo/CHEBI_33286",
      "rdfs:label": "agrochemical",
      "http://www.w3.org/2004/02/skos/core#definition": "An agrochemical is a substance that is used in agriculture or horticulture.",
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        ],
        "prov:wasDerivedFrom": "http://semanticscience.org/resource/CHEMINF_000446 -> ChEBI RO:0000087"
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    },
    {
      "@id": "http://purl.obolibrary.org/obo/CHEBI_24127",
      "rdfs:label": "fungicide",
      "http://www.w3.org/2004/02/skos/core#definition": "A substance used to destroy fungal pests.",
      "provenance": {
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    },
    {
      "@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": {
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        ],
        "prov:wasDerivedFrom": "http://semanticscience.org/resource/CHEMINF_000446 -> ChEBI RO:0000087"
      }
    }
  ]
}

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