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1-dodecyl-2-pyrrolidinone

fo-a79e573e09b9376f

Identity

Type
Neutral molecule
CAS
2687-96-9
EC
403-730-1
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for 1-dodecyl-2-pyrrolidinone

Alternative labels

15

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string NJPQAIBZIHNJDO-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C16H31NO/c1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16(17)18/h2-15H2,1H3
IUPAC name chemrof:IUPAC_name 1-dodecyl-2-pyrrolidinone
Molecular formula chemrof:molecular_formula C16H31NO
Molecular mass chemrof:molecular_mass 253.43
Monoisotopic mass chemrof:monoisotopic_mass 253.24056, 253.240565
SMILES string chemrof:smiles_string CCCCCCCCCCCCN1CCCC1=O

Known URLs

18

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=2687-96-9 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:146192 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.100.544 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.132.936 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID4042206 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3186490 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/3P14VW8FNY enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J46.018D enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/62459 enrich_references.pubchem_compound
PubMed https://pubmed.ncbi.nlm.nih.gov/1706762 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/17688265 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/18197519 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/1861236 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/19697392 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/1974617 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/2347025 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/31901073 enrich_references.chebi_xrefs
Wikidata https://www.wikidata.org/wiki/Q27257840 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
1eca111e-f4e5-4e76-b9f6-ff43944ffe85 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
3c9f8a4d-4764-4eeb-b863-9f26d4c2126f Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
fdbcc4bd-33d2-4a7b-8b70-d5a14c28b5dd Environmental → Air → Indoor EF 3.1 kg 4
0f45f053-033c-4ea8-b469-86988cc5fcb3 Environmental → Air → Long-term EF 3.1 kg 0
d9540be2-72d8-4950-97e2-b0ec634078f1 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
1506339b-ec02-4306-bcae-b041aa270a0c Environmental → Air → Unknown EF 3.1 kg 4
ac0c8080-a26a-4f4c-9dcc-362c075127ab Environmental → Ground → Agricultural EF 3.1 kg 4
1a3cf2fe-cf5c-4cfc-9529-2d484c811986 Environmental → Ground → Non-agricultural EF 3.1 kg 4
1cd5bf7d-afcb-4280-bd30-4fd6c54c8db2 Environmental → Ground → Unknown EF 3.1 kg 4
5b602f92-c48c-4e95-b5a3-75dc469d1328 Environmental → Water → Long-term EF 3.1 kg 0
8b2b393c-1510-4d1c-b512-0839115371c0 Environmental → Water → Ocean EF 3.1 kg 4
f92dc58b-851f-4de0-b08c-fd426ddf2798 Environmental → Water → Surface water EF 3.1 kg 4
b98fadd4-751c-47ad-98ac-850bb7def2a6 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-a79e573e09b9376f",
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