Consensus flow list

Identity

Type
Neutral molecule
CAS
2605-79-0
EC
220-020-5
Origin
EF 3.1 hybrid_name_cas_v1
Changes
57 across every transformer

Structure

Structure diagram for Decyl(dimethyl)amine Oxide

What it is used for

1

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

Alternative labels

31

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string ZRKZFNZPJKEWPC-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C12H27NO/c1-4-5-6-7-8-9-10-11-12-13(2,3)14/h4-12H2,1-3H3
IUPAC name chemrof:IUPAC_name Decyl(dimethyl)amine Oxide
Molecular formula chemrof:molecular_formula C12H27NO
Molecular mass chemrof:molecular_mass 201.354
Monoisotopic mass chemrof:monoisotopic_mass 201.20926, 201.209264
SMILES string chemrof:smiles_string CCCCCCCCCC[N+](C)(C)[O-]

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=2605-79-0 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:41899 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.018.201 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID7042190 enrich_references.pubchem_identifier_url
drugbank.ca https://www.drugbank.ca/drugs/DB02613 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1232157 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/G387VUT5EZ enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J192.113D enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=147186 enrich_references.pubchem_identifier_url
pdb-ccd pdb-ccd:DDQ enrich_references.chebi_xrefs
platform.opentargets.org https://platform.opentargets.org/drug/CHEMBL1232157 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/62452 enrich_references.pubchem_compound
PubMed https://pubmed.ncbi.nlm.nih.gov/15896049 enrich_references.chebi_xrefs
reaxys reaxys:2352550 enrich_references.chebi_xrefs
rxnav.nlm.nih.gov https://rxnav.nlm.nih.gov/id/rxnorm/1494854 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q27093580 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
c4094818-f153-4451-9a72-578d4f76f151 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
cf9ae767-457f-4404-be6e-f07f9e00618a Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
ccfa5280-7f5a-49d1-b97f-ba895e590d98 Environmental → Air → Indoor EF 3.1 kg 4
f5377644-5d6a-4382-b1e5-848ac7ee6986 Environmental → Air → Long-term EF 3.1 kg 0
5942af4e-1654-485c-b347-e303a78693be Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
2266620a-5503-4c13-bc73-e0dd4edc7eb7 Environmental → Air → Unknown EF 3.1 kg 4
ea07e983-8b05-4011-893b-f198ad94bdfd Environmental → Ground → Agricultural EF 3.1 kg 4
69ade055-20ae-4bb2-9311-28a455b97f80 Environmental → Ground → Non-agricultural EF 3.1 kg 4
4228a85d-9a35-44ab-80d5-1f2c045654e9 Environmental → Ground → Unknown EF 3.1 kg 4
7e7ea36a-e646-422f-b4cf-ae9f23b2e711 Environmental → Water → Long-term EF 3.1 kg 0
39b3f4b6-0582-4ada-8ffd-a04e75e54fa6 Environmental → Water → Ocean EF 3.1 kg 4
6a7de180-9e6c-44a7-94bf-3e988dc1d77a Environmental → Water → Surface water EF 3.1 kg 4
8568e5b9-95b0-493e-8538-92447c80c5fb Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (57 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-9349e66ec5635306",
  "prefLabel": [
    {
      "@value": "Decyl(dimethyl)amine Oxide",
      "@language": "en",
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        "prov:wasDerivedFrom": "legacy name field"
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    }
  ],
  "altLabel": [
    {
      "@value": "1-Decanamine, N,N-dimethyl-, N-oxide",
      "@language": "en",
      "@lang": "en",
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      "@value": "Ammonyx DO",
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    },
    {
      "@value": "Aromox DM 10DW",
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    {
      "@value": "Barlox 10S",
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      }
    },
    {
      "@value": "Cadenax DM 10DW",
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      }
    },
    {
      "@value": "Capric dimethyl amine oxide",
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      }
    },
    {
      "@value": "Decamine oxide",
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      }
    },
    {
      "@value": "Decyl dimethyl amine oxide",
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      }
    },
    {
      "@value": "Decyl-N,N-dimethylamine oxide",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Decylamine oxide",
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      }
    },
    {
      "@value": "Decylamine, N,N-dimethyl-, N-oxide",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Decyldimethylamine N-oxide",
      "@language": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Decyldimethylamine oxide",
      "@language": "en",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Dimethyl decylamine oxide",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Euroxide DO 40",
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        ],
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      }
    },
    {
      "@value": "Genaminox DC 40",
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      }
    },
    {
      "@value": "Genaminox K 10",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Macat AO 10",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "N,N-Dimethyl decyl amine oxide",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "N,N-Dimethyl-1-decanamine oxide",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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          "https://commonchemistry.cas.org/detail?cas_rn=2605-79-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "N,N-Dimethyl-1-decanamine-N-oxide",
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      "provenance": {
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        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "N,N-Dimethyl-N-decylamine N-oxide",
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      "@lang": "en",
      "provenance": {
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        ],
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      }
    },
    {
      "@value": "N,N-Dimethyl-n-decylamine oxide",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "N,N-dimethyldecylamine N-oxide",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "N-Decyl-N,N-dimethylamine oxide",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Tegotens DO",
      "@language": "en",
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      }
    },
    {
      "@value": "Tegotens DO 40",
      "@language": "en",
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  ],
  "properties": {
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      "attested_by": {
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    },
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      "rdfs:label": "SMILES",
      "@value": [
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      "provenance": [
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    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "rdfs:label": "InChI",
      "@value": [
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