Consensus flow list

2,2,6,6-tetramethyl-4-piperidone

fo-746194f8dbe5bfd3

Identity

Type
NeutralMolecule
CAS
826-36-8
EC
212-554-2
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for 2,2,6,6-tetramethyl-4-piperidone

Alternative labels

14

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string JWUXJYZVKZKLTJ-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C9H17NO/c1-8(2)5-7(11)6-9(3,4)10-8/h10H,5-6H2,1-4H3
IUPAC name chemrof:IUPAC_name 2,2,6,6-tetramethyl-4-piperidone
Molecular formula chemrof:molecular_formula C9H17NO
Molecular mass chemrof:molecular_mass 155.241
Monoisotopic mass chemrof:monoisotopic_mass 155.13101, 155.131014
SMILES string chemrof:smiles_string CC1(C)CC(=O)CC(C)(C)N1

Known URLs

16

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=826-36-8 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:177813 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.011.413 enrich_references.pubchem_identifier_url
ChemSpider https://www.chemspider.com/Chemical-Structure.12665.html enrich_references.chebi_xrefs
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID4041527 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=16579 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL117614 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/2K4430S3XP enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0031179 enrich_references.chebi_xrefs
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J107D enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=22544 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=44728 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/13220 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=018618 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q6120732 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Triacetonamine enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
2c6e5824-b82f-4a4a-911f-f7c9ab20390b Environmental → Air → Aircraft cruise height EF 3.1 kg 2
d560d041-ca83-4309-b19b-f95be842f3f0 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
515b5957-5bef-4556-a700-5fd500e84dad Environmental → Air → Indoor EF 3.1 kg 2
88003bda-6305-4706-abe3-02067f5d6a96 Environmental → Air → Long-term EF 3.1 kg 0
0a13f1c9-1a16-4a13-ba03-d81bbb5c65ad Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
ee957613-e44d-469b-9b83-84f38c39771c Environmental → Air → Unknown EF 3.1 kg 2
6f2ba8bb-8128-4481-a597-cfd55648974d Environmental → Ground → Agricultural EF 3.1 kg 2
2f8be164-19d3-4e1d-95d5-b64119f0b48d Environmental → Ground → Non-agricultural EF 3.1 kg 2
916894f7-2d33-47fc-b9fe-c5aaeaa7098a Environmental → Ground → Unknown EF 3.1 kg 2
53eef3e5-0682-4bb1-ab82-91305ec18941 Environmental → Water → Long-term EF 3.1 kg 0
18f1725d-2cb6-4a5e-8a0e-8eebb8472ea5 Environmental → Water → Ocean EF 3.1 kg 2
3d7ff57d-1c8a-4443-9519-722c5b39430d Environmental → Water → Surface water EF 3.1 kg 2
7a37fa81-ef65-401f-bec0-ee73d51be1b4 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (56 changes)

Open the changes page

Full record

Flow object JSON 
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