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N-nitrosodiethylamine

fo-7dacac099e8f38d1

Identity

Type
Neutral molecule
CAS
55-18-5
EC
200-226-1
Origin
EF 3.1 hybrid_name_cas_v1
Changes
57 across every transformer

Structure

Structure diagram for N-nitrosodiethylamine

Alternative labels

17

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string WBNQDOYYEUMPFS-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C4H10N2O/c1-3-6(4-2)5-7/h3-4H2,1-2H3
IUPAC name chemrof:IUPAC_name N-nitrosodiethylamine
Molecular formula chemrof:molecular_formula C4H10N2O
Molecular mass chemrof:molecular_mass 102.137
Monoisotopic mass chemrof:monoisotopic_mass 102.07931, 102.079313
SMILES string chemrof:smiles_string CCN(CC)N=O

Known URLs

19

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=55-18-5 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:34873 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.000.206 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID2021028 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=132 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL164290 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/3IQ78TTX1A enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.373K enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C14422 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C14422 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=55042 enrich_references.pubchem_identifier_url
ncithesaurus.nci.nih.gov https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C29827 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/5921 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#2810 enrich_references.pubchem_identifier_url
PubMed https://pubmed.ncbi.nlm.nih.gov/24696076 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24755254 enrich_references.chebi_xrefs
reaxys reaxys:1744991 enrich_references.chebi_xrefs
Wikidata https://www.wikidata.org/wiki/Q22138388 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/N-Nitrosodiethylamine enrich_references.pubchem_identifier_url

Elementary flows

14
Flow Context Source Unit CFs
d86c61d7-6555-11dd-ad8b-0800200c9a66 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
fe0acd60-3ddc-11dd-ae10-0050c2490048 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
034b916b-0944-4ef3-b1a0-5d39f1bbd582 Environmental → Air → Indoor EF 3.1 kg 4
fe0acd60-3ddc-11dd-ae0f-0050c2490048 Environmental → Air → Long-term EF 3.1 kg 0
fe0acd60-3ddc-11dd-ae11-0050c2490048 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
fe0acd60-3ddc-11dd-ae0e-0050c2490048 Environmental → Air → Unknown EF 3.1 kg 4
fe0acd60-3ddc-11dd-ae0c-0050c2490048 Environmental → Ground → Agricultural EF 3.1 kg 4
fe0acd60-3ddc-11dd-ae15-0050c2490048 Environmental → Ground → Non-agricultural EF 3.1 kg 4
fe0acd60-3ddc-11dd-ae0d-0050c2490048 Environmental → Ground → Unknown EF 3.1 kg 4
fe0acd60-3ddc-11dd-ae13-0050c2490048 Environmental → Water → Long-term EF 3.1 kg 0
fe0acd60-3ddc-11dd-ae16-0050c2490048 Environmental → Water → Ocean EF 3.1 kg 4
fe0acd60-3ddc-11dd-ae12-0050c2490048 Environmental → Water → Surface water EF 3.1 kg 4
5fc0f14e11fc24366ed253b6f122d9158b988613 Environmental → Water → Unconfined aquifer stepwise algorithm addition kg 0
fe0acd60-3ddc-11dd-ae14-0050c2490048 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (57 changes)

Open the changes page

Full record

Flow object JSON 
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