Consensus flow list

Identity

Type
Neutral molecule
CAS
2044-64-6
EC
218-059-8
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for N,n-dimethyl-3-oxobutanamide

Alternative labels

7

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string YPEWWOUWRRQBAX-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C6H11NO2/c1-5(8)4-6(9)7(2)3/h4H2,1-3H3
IUPAC name chemrof:IUPAC_name N,N-Dimethyl-3-oxobutyramide
Molecular formula chemrof:molecular_formula C6H11NO2
Molecular mass chemrof:molecular_mass 129.159
Monoisotopic mass chemrof:monoisotopic_mass 129.078979
SMILES string chemrof:smiles_string CC(=O)CC(=O)N(C)C

Known URLs

9

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=2044-64-6 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.016.419 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID8027454 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=524755 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3185062 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/7E2L0OAA4K enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J26.749J enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/16278 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q27268134 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
2dc6bd68-f56c-4189-a15b-38a026c1667b Environmental → Air → Aircraft cruise height EF 3.1 kg 4
aafef364-c18d-4f0d-a5be-f72f25ee7618 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
4f0f80a5-221f-48b2-9592-5660276f8466 Environmental → Air → Indoor EF 3.1 kg 4
7f5f607c-a812-4733-a1d1-2bcfadfbcb7d Environmental → Air → Long-term EF 3.1 kg 0
2694cf23-6cb3-431b-b662-134b067d4154 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
7320ec72-d240-499f-8c74-b9bfb02e369d Environmental → Air → Unknown EF 3.1 kg 4
e1c0a44e-6a33-4a12-9c91-aff188809102 Environmental → Ground → Agricultural EF 3.1 kg 4
ce73039b-c64a-47ce-b7b2-3a5512dcf75d Environmental → Ground → Non-agricultural EF 3.1 kg 4
c1c24ba7-6b0d-473a-a675-efe24ce368c2 Environmental → Ground → Unknown EF 3.1 kg 4
2bc83118-e677-409c-9d58-39a273b5e7b1 Environmental → Water → Long-term EF 3.1 kg 0
fcb1f3e0-9de2-4517-92b1-9cc0dc00bec3 Environmental → Water → Ocean EF 3.1 kg 4
f6465964-0487-46f1-8872-731d8d042fe8 Environmental → Water → Surface water EF 3.1 kg 4
678161d0-de9d-4088-b9f9-29a92bbc5368 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (55 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-a5f68259f9f52a85",
  "prefLabel": [
    {
      "@value": "N,n-dimethyl-3-oxobutanamide",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:hadPrimarySource": [
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        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "Acetoacetamide, N,N-dimethyl-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Butanamide, N,N-dimethyl-3-oxo-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Dimethylacetoacetamide",
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        ],
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      }
    },
    {
      "@value": "N,N-Dimethyl-2-acetoacetamide",
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    {
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}

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