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CHEBI:34873 - N-nitrosodiethylamine

ChEBI IDCHEBI:34873
ChEBI NameN-nitrosodiethylamine
Stars
ASCII NameN-nitrosodiethylamine
DefinitionA nitrosamine that is N-ethylethanamine substituted by a nitroso group at the N-atom.
Last Modified9 August 2018
DownloadsMolfile
FormulaC4H10N2O
Net Charge0
Average Mass102.137
Monoisotopic Mass102.07931
SMILESCCN(CC)N=O
InChIInChI=1S/C4H10N2O/c1-3-6(4-2)5-7/h3-4H2,1-2H3
InChIKeyWBNQDOYYEUMPFS-UHFFFAOYSA-N
Roles Classification
Biological Roles:
mutagen  An agent that increases the frequency of mutations above the normal background level, usually by interacting directly with DNA and causing it damage, including base substitution.
carcinogenic agent  A role played by a chemical compound which is known to induce a process of carcinogenesis by corrupting normal cellular pathways, leading to the acquistion of tumoral capabilities.
hepatotoxic agent  A role played by a chemical compound exhibiting itself through the ability to induce damage to the liver in animals.
ChEBI Ontology
Outgoing Relation(s)
N-nitrosodiethylamine (CHEBI:34873) has role carcinogenic agent (CHEBI:50903)
N-nitrosodiethylamine (CHEBI:34873) has role hepatotoxic agent (CHEBI:50908)
N-nitrosodiethylamine (CHEBI:34873) has role mutagen (CHEBI:25435)
N-nitrosodiethylamine (CHEBI:34873) is a nitrosamine (CHEBI:35803)
Incoming Relation(s)
N-ethyl-N-(2-hydroxyethyl)nitrosamine (CHEBI:141568) has functional parent N-nitrosodiethylamine (CHEBI:34873)
IUPAC Name 
N-ethyl-N-nitrosoethanamine
Synonyms  Source
N-NitrosodiethylamineKEGG COMPOUND
NDEAKEGG COMPOUND
DiethylnitrosamineKEGG COMPOUND
N,N-diethylnitrosamineChemIDplus
N,N-diethylnitrosoamineChemIDplus
diethylnitrosoamineChemIDplus
Manual XrefsDatabases
C14422KEGG COMPOUND
Registry NumbersSources
Reaxys:1744991Reaxys
CAS:55-18-5KEGG COMPOUND
CAS:55-18-5ChemIDplus
CAS:55-18-5NIST Chemistry WebBook
Citations