Consensus flow list

Identity

Type
Neutral molecule
CAS
52722-86-8
EC
258-132-1
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for 4-hydroxy-2,2,6,6-tetramethylpiperidine-1-ethanol

Alternative labels

8

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string STEYNUVPFMIUOY-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C11H23NO2/c1-10(2)7-9(14)8-11(3,4)12(10)5-6-13/h9,13-14H,5-8H2,1-4H3
IUPAC name chemrof:IUPAC_name 4-hydroxy-2,2,6,6-tetramethylpiperidine-1-ethanol
Molecular formula chemrof:molecular_formula C11H23NO2
Molecular mass chemrof:molecular_mass 201.31
Monoisotopic mass chemrof:monoisotopic_mass 201.172879, 201.17288
SMILES string chemrof:smiles_string CC1(C)CC(O)CC(C)(C)N1CCO

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=52722-86-8 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:182655 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.052.830 enrich_references.pubchem_identifier_url
ChemSpider https://www.chemspider.com/Chemical-Structure.94161.html enrich_references.chebi_xrefs
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID4068795 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/800861N5IX enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J31.379C enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/104301 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q27269089 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
686ffca2-b5e1-4727-970a-4ee73329500a Environmental → Air → Aircraft cruise height EF 3.1 kg 4
f6a05373-494f-4c2a-86ef-1405f4fd8694 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
65043b1e-a8d9-4c32-b36e-a4723168d025 Environmental → Air → Indoor EF 3.1 kg 4
d42c2dc3-685a-49be-8427-ca696e55e57f Environmental → Air → Long-term EF 3.1 kg 0
de66f154-9ce9-4adb-9f1c-92a3dfa6bd1f Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
f7715f27-75c7-422f-86f4-872450bcf845 Environmental → Air → Unknown EF 3.1 kg 4
2cc1f303-d3cc-436f-b03a-f5fae8b4589e Environmental → Ground → Agricultural EF 3.1 kg 4
80441735-e0ba-4574-b6e5-1fc8cb0ab2d5 Environmental → Ground → Non-agricultural EF 3.1 kg 4
e95c29c9-8049-447c-abd2-eef93898d49c Environmental → Ground → Unknown EF 3.1 kg 4
5c455e0b-d6a2-48fa-8337-58f231a39f13 Environmental → Water → Long-term EF 3.1 kg 0
76148370-1730-4825-8ee6-ac02a2db5d23 Environmental → Water → Ocean EF 3.1 kg 4
74e1f3a7-a5d1-4719-a7ee-d4182973557d Environmental → Water → Surface water EF 3.1 kg 4
c4005ff0-c43f-4dd8-833e-b6bb0970b2dd Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (56 changes)

Open the changes page

Full record

Flow object JSON
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      "rdfs:seeAlso": [
        "https://echa.europa.eu/search-for-chemicals?query=258-132-1"
      ],
      "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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