CHEBI:59990 - N,N-dimethyl-4-nitrosoaniline

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name N,N-dimethyl-4-nitrosoaniline
ChEBI ID CHEBI:59990
ChEBI ASCII Name N,N-dimethyl-4-nitrosoaniline
Definition A member of the class of dimethylanilines that is N,N-dimethylaniline having a nitroso group at the 4-position.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Kristian Axelsen
Supplier Information
Download Molfile XML SDF
Formula C8H10N2O
Net Charge 0
Average Mass 150.17780
Monoisotopic Mass 150.07931
InChI InChI=1S/C8H10N2O/c1-10(2)8-5-3-7(9-11)4-6-8/h3-6H,1-2H3
InChIKey CMEWLCATCRTSGF-UHFFFAOYSA-N
SMILES CN(C)c1ccc(cc1)N=O
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing N,N-dimethyl-4-nitrosoaniline (CHEBI:59990) is a dimethylaniline (CHEBI:23806)
N,N-dimethyl-4-nitrosoaniline (CHEBI:59990) is a nitroso compound (CHEBI:35800)
N,N-dimethyl-4-nitrosoaniline (CHEBI:59990) is a tertiary amino group (CHEBI:51146)
IUPAC Name
N,N-dimethyl-4-nitrosoaniline
Synonyms Sources
4-(Dimethylamino)nitrosobenzene ChemIDplus
4-Nitroso-N,N-dimethylaniline SUBMITTER
4-Nitrosodimethylaniline ChemIDplus
Dimethyl(p-nitrosophenyl)amine ChemIDplus
Dimethyl-p-nitrosoaniline NIST Chemistry WebBook
N,N-dimethyl-4-nitrosoaniline UniProt
N,N-Dimethyl-4-nitrosoaniline NIST Chemistry WebBook
N,N-Dimethyl-p-nitrosoaniline ChemIDplus
NDMA SUBMITTER
p-(Dimethylamino)nitrosobenzene ChemIDplus
p-(N,N-Dimethylamino)nitrosobenzene ChemIDplus
p-Nitroso dimethylaniline NIST Chemistry WebBook
p-Nitroso-N,N-dimethylaniline ChemIDplus
p-Nitrosodimethylanilide ChemIDplus
Paranitrosodimethylanilide ChemIDplus
Manual Xrefs Databases
C19680 KEGG COMPOUND
CPD-12424 MetaCyc
View more database links
Registry Numbers Types Sources
138-89-6 CAS Registry Number ChemIDplus
138-89-6 CAS Registry Number NIST Chemistry WebBook
27528 Gmelin Registry Number Gmelin
607293 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
19785421 PubMed citation Europe PMC
4335090 PubMed citation Europe PMC
5234495 PubMed citation Europe PMC
8930732 PubMed citation Europe PMC
972772 PubMed citation Europe PMC
IND23280673 Agricola citation Europe PMC
Last Modified
23 September 2020