MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks

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N,N-dimethyl-4-nitrosoaniline

	Properties	Image
MNX_ID	MNXM2697
reference	chebi:59990
formula	C₈H₁₀N₂O
global charge	0
mol weight	150.181
InChIKey	CMEWLCATCRTSGF-UHFFFAOYSA-N
InChI	InChI=1S/C8H10N2O/c1-10(2)8-5-3-7(9-11)4-6-8/h3-6H,1-2H3
SMILES	CN(C)C1=CC=C(N=O)C=C1

MNX internals

InChI (mnx)	InChI=1/C8H10N2O/c1-10(2)8-5-3-7(9-11)4-6-8/h3-6H,1-2H3
SMILES (mnx)	[CH3:1][N:10]([CH3:2])[C:8]1=[CH:6][CH:4]=[C:7]([N:9]=[O:11])[CH:3]=[CH:5]1

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	45
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:59990 chebi:59990 CMEWLCATCRTSGF-UHFFFAOYSA-N	N,N-dimethyl-4-nitrosoaniline 4-(Dimethylamino)nitrosobenzene 4-Nitroso-N,N-dimethylaniline 4-Nitrosodimethylaniline Dimethyl(p-nitrosophenyl)amine Dimethyl-p-nitrosoaniline N,N-Dimethyl-4-nitrosoaniline N,N-Dimethyl-p-nitrosoaniline NDMA Paranitrosodimethylanilide p-(Dimethylamino)nitrosobenzene p-(N,N-Dimethylamino)nitrosobenzene p-Nitroso dimethylaniline p-Nitroso-N,N-dimethylaniline p-Nitrosodimethylanilide
metacyc.compound:CPD-12424 metacycM:CPD-12424 CMEWLCATCRTSGF-UHFFFAOYSA-N	4-nitroso-N,N-dimethylaniline N,N'-dimethyl-4-nitrosoaniline NDMA p-nitroso-N,N-dimethylaniline
sabiork.compound:26959 sabiorkM:26959 CMEWLCATCRTSGF-UHFFFAOYSA-N	N,N-Dimethyl-4-nitrosoaniline
hmdb:HMDB0255256 CMEWLCATCRTSGF-UHFFFAOYSA-N	N,N-Dimethyl-4-nitrosoaniline 4-(Dimethylamino)nitrosobenzene 4-Nitroso-N,N-dimethylaniline 4-Nitrosodimethylaniline 4-Nitrosodimethylaniline monohydrochloride Accelerine Dimethyl(p-nitrosophenyl)amine Dimethyl-p-nitrosoaniline N,N-Dimethyl-p-nitrosoaniline N,N-dimethyl-4-nitrosoaniline NDMA NDMA nitrosodimethylaniline Para-nitrosodimethylaniline Paranitrosodimethylanilide p-(Dimethylamino)nitrosobenzene p-(N,N-Dimethylamino)nitrosobenzene p-Nitroso dimethylaniline p-Nitroso-N,N-dimethylaniline p-Nitrosodimethylanilide p-Nitrosodimethylaniline
seed.compound:cpd20928 seedM:cpd20928 CMEWLCATCRTSGF-UHFFFAOYSA-N	N,N-Dimethyl-4-nitrosoaniline 4-nitroso-N,N-dimethylaniline Accelerine N,N'-dimethyl-4-nitrosoaniline NDMA p-nitroso-N,N-dimethylaniline
kegg.compound:C19680 keggC:C19680 CMEWLCATCRTSGF-UHFFFAOYSA-N	N,N-Dimethyl-4-nitrosoaniline Accelerine
sabiork.compound:26966 sabiorkM:26966 CMEWLCATCRTSGF-UHFFFAOYSA-N	p-Nitroso-N-dimethylaniline
keggC:M_C19680 seedM:M_cpd20928	secondary/obsolete/fantasy identifier