Consensus flow list

Identity

Type
Neutral molecule
CAS
2687-94-7
EC
403-700-8
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for N-(n-octyl)-2-pyrrolidinone

Alternative labels

14

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string WPPOGHDFAVQKLN-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C12H23NO/c1-2-3-4-5-6-7-10-13-11-8-9-12(13)14/h2-11H2,1H3
IUPAC name chemrof:IUPAC_name N-(n-octyl)-2-pyrrolidinone
Molecular formula chemrof:molecular_formula C12H23NO
Molecular mass chemrof:molecular_mass 197.322
Monoisotopic mass chemrof:monoisotopic_mass 197.17796, 197.177964
SMILES string chemrof:smiles_string CCCCCCCCN1CCCC1=O

Known URLs

11

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=2687-94-7 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:183762 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.100.541 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.132.687 enrich_references.pubchem_identifier_url
ChemSpider https://www.chemspider.com/Chemical-Structure.2298449.html enrich_references.chebi_xrefs
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID4036435 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3186828 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/N8YJ26SB8V enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J498.788H enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/3033871 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q63395635 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
0cabc1d1-aa53-435d-ac29-9ddb8a4b33b0 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
069712d9-a9a7-433b-a08b-690a858c421c Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
c5ba4612-cb95-45e7-a1c1-90d0d63dea9f Environmental → Air → Indoor EF 3.1 kg 4
b531944e-0f26-4bef-b391-3b3fd76899f8 Environmental → Air → Long-term EF 3.1 kg 0
fcccfcfb-bf32-417b-b1ad-35ea53113f3e Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
7c7479e6-82d7-4145-b56f-b75c6332712e Environmental → Air → Unknown EF 3.1 kg 4
387c29f1-94b6-42e7-b6d9-9af977b11c6b Environmental → Ground → Agricultural EF 3.1 kg 4
34ba146c-edb2-4e52-a870-4c32c2ccc79b Environmental → Ground → Non-agricultural EF 3.1 kg 4
1a767323-d1fe-4640-8132-c0b4c2553619 Environmental → Ground → Unknown EF 3.1 kg 4
708c905b-9f1a-4462-92dd-636dfd9227dc Environmental → Water → Long-term EF 3.1 kg 0
cdeb3069-1f60-4ef5-a3bc-b1331baaa727 Environmental → Water → Ocean EF 3.1 kg 4
d885ffc3-383e-41bb-a648-c466119a0a15 Environmental → Water → Surface water EF 3.1 kg 4
e1ceea70-b253-4f97-aaea-ea60317980a6 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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