Consensus flow list

Identity

Type
NeutralMolecule
CAS
2403-88-5
EC
219-291-2
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for 2,2,6,6-tetramethylpiperidin-4-ol

Alternative labels

7

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string VDVUCLWJZJHFAV-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C9H19NO/c1-8(2)5-7(11)6-9(3,4)10-8/h7,10-11H,5-6H2,1-4H3
IUPAC name chemrof:IUPAC_name 2,2,6,6-tetramethylpiperidin-4-ol
Molecular formula chemrof:molecular_formula C9H19NO
Molecular mass chemrof:molecular_mass 157.257
Monoisotopic mass chemrof:monoisotopic_mass 157.146664
SMILES string chemrof:smiles_string CC1(C)CC(O)CC(C)(C)N1

Known URLs

10

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=2403-88-5 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.017.539 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID3029655 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=16575 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL117625 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/IS23Q8EGZ6 enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0245344 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J39.108E enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/75471 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q27280873 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
b2aefb57-45ef-4167-9a67-20f164769f0a Environmental → Air → Aircraft cruise height EF 3.1 kg 2
85256dd0-aa23-4deb-b7be-98750bf2cd6f Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
82ebe820-4829-4a31-8f8c-1258061300be Environmental → Air → Indoor EF 3.1 kg 2
43040e95-7fbe-494b-96f7-9868d7c26f92 Environmental → Air → Long-term EF 3.1 kg 0
e88f8865-fd3e-4ca9-ad5a-344912e92cc1 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
82c71e92-d591-4f04-b6c6-91278d626f90 Environmental → Air → Unknown EF 3.1 kg 2
7683e944-5ae9-42c2-95b1-a9b6e87fe395 Environmental → Ground → Agricultural EF 3.1 kg 2
94fbec02-1152-4991-9f34-b745bdf6b352 Environmental → Ground → Non-agricultural EF 3.1 kg 2
55210ee0-e216-4ebe-81cc-a4ad0d4b6c00 Environmental → Ground → Unknown EF 3.1 kg 2
0757b79c-d923-4068-89d4-58e1df178877 Environmental → Water → Long-term EF 3.1 kg 0
08c08d8a-79bc-4af4-8ca9-c89e28a08324 Environmental → Water → Ocean EF 3.1 kg 2
f82866ae-64d5-4ce0-a607-a0e1f27dc863 Environmental → Water → Surface water EF 3.1 kg 2
9d8260e0-46bb-4688-9510-877de902a4f9 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
{
  "flow_object_id": "fo-fc6d919058f659b9",
  "prefLabel": [
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        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "2,2,6,6-Tetramethyl-4-hydroxypiperidine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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    },
    {
      "@value": "2,2,6,6-Tetramethyl-4-piperidinol",
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "4-Hydroxy-2,2,6,6-tetramethylpiperidine",
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    },
    {
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}

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