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CHEBI:34873 - N-nitrosodiethylamine

Default Structure
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:
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.
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.
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
1,1-diethyl-2-oxohydrazineNIST Chemistry WebBook
DANANIST Chemistry WebBook
DENNIST Chemistry WebBook
DiethylnitrosamineKEGG COMPOUND
diethylnitrosoamineChemIDplus
N,N-diethylnitrosamineChemIDplus
Manual XrefsDatabases
C14422KEGG COMPOUND
Registry NumbersSources
Reaxys:1744991Reaxys
CAS:55-18-5NIST Chemistry WebBook
CAS:55-18-5KEGG COMPOUND
CAS:55-18-5ChemIDplus
Citations