N-nitrosodiethylamine (CHEBI:34873)

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ChEBI Name	N-nitrosodiethylamine

ChEBI ID	CHEBI:34873

ChEBI ASCII Name	N-nitrosodiethylamine

Definition	A nitrosamine that is N-ethylethanamine substituted by a nitroso group at the N-atom.

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information

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Formulae

C4H10N2O
C4H10N2O

Net Charge

Average Mass

102.135

Monoisotopic Mass

102.07931

InChI

InChI=1S/C4H10N2O/c1-3-6(4-2)5-7/h3-4H2,1-2H3

InChIKey

WBNQDOYYEUMPFS-UHFFFAOYSA-N

SMILES

CCN(CC)N=O

Roles Classification
Biological Role(s):	hepatotoxic agent A role played by a chemical compound exihibiting itself through the ability to induce damage to the liver in animals. 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.

ChEBI Ontology
Outgoing	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	N-ethyl-N-(2-hydroxyethyl)nitrosamine (CHEBI:141568) has functional parent N-nitrosodiethylamine (CHEBI:34873)

IUPAC Name

N-ethyl-N-nitrosoethanamine

Last Modified

09 August 2018