Consensus flow list

Identity

Type
NeutralMolecule
CAS
667-84-5
EC
416-510-5
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for (rs)-n-(3-ethoxypropyl)-2,4-dihydroxy-3,3-dimethylbutanamide

Alternative labels

4

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string MRAMPOPITCOOIN-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C11H23NO4/c1-4-16-7-5-6-12-10(15)9(14)11(2,3)8-13/h9,13-14H,4-8H2,1-3H3,(H,12,15)
IUPAC name chemrof:IUPAC_name N-(3-Ethoxypropyl)-2,4-dihydroxy-3,3-dimethylbutanamide
Molecular formula chemrof:molecular_formula C11H23NO4
Molecular mass chemrof:molecular_mass 233.308
Monoisotopic mass chemrof:monoisotopic_mass 233.162708
SMILES string chemrof:smiles_string CCOCCCNC(=O)C(O)C(C)(C)CO

Known URLs

6

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=667-84-5 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.010.519 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.120.972 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID60862363 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/3856251 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q72499526 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
f7ec02f7-87a2-40f6-a414-57c5550ca107 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
545da110-c6d4-46f8-9b59-556a1c893768 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
7bb1438f-1f65-4e69-a1fa-d18aca3b0622 Environmental → Air → Indoor EF 3.1 kg 4
a299d31a-0d8d-4bca-b644-84dcfdea7187 Environmental → Air → Long-term EF 3.1 kg 0
b7fde1d7-9495-4279-b7a8-d2f63d786254 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
f08771b9-2930-4069-b415-6f0750b48eeb Environmental → Air → Unknown EF 3.1 kg 4
0c78b292-cb53-469a-92e4-c0c870a58556 Environmental → Ground → Agricultural EF 3.1 kg 4
0cf15f46-1638-449a-9603-04ed6c5d1f00 Environmental → Ground → Non-agricultural EF 3.1 kg 4
53b8c015-0509-4e29-b927-02bd0404b841 Environmental → Ground → Unknown EF 3.1 kg 4
d476bd65-ff8d-43d3-9c0c-87ab1fb77b10 Environmental → Water → Long-term EF 3.1 kg 0
24a757e7-7670-4306-80dd-52a2e2d312f5 Environmental → Water → Ocean EF 3.1 kg 4
60a8d720-b096-4e3f-8013-1a39481b5aa7 Environmental → Water → Surface water EF 3.1 kg 4
673b71de-6380-4bfa-bfa7-7d862e01935f Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (54 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-b2502c1edf9bfb2b",
  "prefLabel": [
    {
      "@value": "(rs)-n-(3-ethoxypropyl)-2,4-dihydroxy-3,3-dimethylbutanamide",
      "@language": "en",
      "@lang": "en",
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        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "Butanamide, N-(3-ethoxypropyl)-2,4-dihydroxy-3,3-dimethyl-",
      "@language": "en",
      "@lang": "en",
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    },
    {
      "@value": "Butanamide, N-(3-ethoxypropyl)-2,4-dihydroxy-3,3-dimethyl-, (±)-",
      "@language": "en",
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Butyramide, N-(3-ethoxypropyl)-2,4-dihydroxy-3,3-dimethyl-, (±)-",
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      }
    },
    {
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    },
    "https://w3id.org/chemrof/monoisotopic_mass": {
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}

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