Consensus flow list

N-[3-(dimethylamino)propyl]dodecanamide

fo-5c207b39ad3502aa

Identity

Type
Neutral molecule
CAS
3179-80-4
EC
221-661-3
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for N-[3-(dimethylamino)propyl]dodecanamide

Alternative labels

13

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string TWMFGCHRALXDAR-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C17H36N2O/c1-4-5-6-7-8-9-10-11-12-14-17(20)18-15-13-16-19(2)3/h4-16H2,1-3H3,(H,18,20)
IUPAC name chemrof:IUPAC_name N-[3-(dimethylamino)propyl]dodecanamide
Molecular formula chemrof:molecular_formula C17H36N2O
Molecular mass chemrof:molecular_mass 284.488
Monoisotopic mass chemrof:monoisotopic_mass 284.282764
SMILES string chemrof:smiles_string CCCCCCCCCCCC(=O)NCCCN(C)C

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=1147459-12-8 enrich_references.pubchem_identifier_url
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=3179-80-4 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.019.693 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.155.404 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID8044913 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=79892 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3185963 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/FS588RR72J enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J27.687A enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/51392 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q27278166 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
aa9cf639-c2f0-4ac9-8694-4ec4ed917d63 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
075273cd-1e37-4e81-a6cf-8f9c572fd0b0 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
1f768253-464a-4e49-8bce-ba782742a51d Environmental → Air → Indoor EF 3.1 kg 2
fef49a0d-26fd-49ca-92be-d591f5c0d38d Environmental → Air → Long-term EF 3.1 kg 0
b60db3be-022e-43ef-9a55-0843bdfc6113 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
760bc564-dfcd-4660-87c5-c141bd33c425 Environmental → Air → Unknown EF 3.1 kg 2
1616196b-dda1-4c5a-8c7f-59a05d0fae86 Environmental → Ground → Agricultural EF 3.1 kg 2
c7ef6cd7-a8fc-4b20-a6bc-ec9eadba09df Environmental → Ground → Non-agricultural EF 3.1 kg 2
7d17ad3e-8300-4478-be45-b68801fce22b Environmental → Ground → Unknown EF 3.1 kg 2
d7a507f7-d08c-4d5b-9a40-50e3e9ad11b5 Environmental → Water → Long-term EF 3.1 kg 0
46c9eae2-986d-46e1-930d-94be5ae63611 Environmental → Water → Ocean EF 3.1 kg 2
c973b8c5-133e-46ed-a5e4-78edab72a03b Environmental → Water → Surface water EF 3.1 kg 2
2a9ebf3f-7c55-49f1-ad8c-2f12080b4384 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (55 changes)

Open the changes page

Full record

Flow object JSON 
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      "provenance": {
        "prov:wasGeneratedBy": "semantic_typing.classify",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:wasDerivedFrom": "semantic_typing.rule.neutral_molecule"
      }
    }
  },
  "classifications": {
    "http://semanticscience.org/resource/CHEMINF_000446": {
      "@value": [
        "3179-80-4"
      ],
      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=3179-80-4"
      ],
      "http://www.w3.org/2004/02/skos/core#exactMatch": [
        {
          "@id": "https://commonchemistry.cas.org/detail?cas_rn=3179-80-4"
        }
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    "http://semanticscience.org/resource/CHEMINF_000447": {
      "@value": [
        "221-661-3"
      ],
      "rdfs:seeAlso": [
        "https://echa.europa.eu/search-for-chemicals?query=221-661-3"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "ec_numbers"
      }
    }
  },
  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
    "https://w3id.org/chemrof/NeutralMolecule"
  ]
}

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