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

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N,N-dimethylaniline

	Properties	Image
MNX_ID	MNXM4047
reference	chebi:16269
formula	C₈H₁₁N
global charge	0
mol weight	121.183
InChIKey	JLTDJTHDQAWBAV-UHFFFAOYSA-N
InChI	InChI=1S/C8H11N/c1-9(2)8-6-4-3-5-7-8/h3-7H,1-2H3
SMILES	CN(C)C1=CC=CC=C1

MNX internals

InChI (mnx)	InChI=1/C8H11N/c1-9(2)8-6-4-3-5-7-8/h3-7H,1-2H3
SMILES (mnx)	[CH3:1][N:9]([CH3:2])[C:8]1=[CH:6][CH:4]=[CH:3][CH:5]=[CH:7]1

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	2
in models (compartimentalized)	1

Similar chemical compounds in external resources
Identifier	Description
CHEBI:16269 chebi:16269 JLTDJTHDQAWBAV-UHFFFAOYSA-N	N,N-dimethylaniline Dimethylaminobenzene Dimethylaniline Dimethylphenylamine N,N-Dimethyl-N-phenylamine N,N-Dimethylaniline N,N-Dimethylbenzenamine N,N-Dimethylbenzeneamine N,N-Dimethylphenylamine
vmhM:dmamnben vmhmetabolite:dmamnben JLTDJTHDQAWBAV-UHFFFAOYSA-N	Dimethylaminobenzene N,N-dimethylaniline
hmdb:HMDB0001020 JLTDJTHDQAWBAV-UHFFFAOYSA-N	N,N-Dimethylaniline Dimethylaminobenzene Dimethylaniline Dimethylphenylamine N,N-(Dimethylamino)benzene N,N-Dimethyl-N-phenylamine N,N-Dimethyl-benzenamine N,N-Dimethylaniline hydrochloride N,N-Dimethylaniline hydroiodide N,N-Dimethylaniline sulfate (1:1) N,N-Dimethylbenzenamine N,N-Dimethylbenzeneamine N,N-Dimethylphenylamine N,N-dimethylaniline dimethylaniline
kegg.compound:C02846 keggC:C02846 JLTDJTHDQAWBAV-UHFFFAOYSA-N	N,N-Dimethylaniline Dimethylaminobenzene N,N-Dimethylbenzenamine
seed.compound:cpd01835 seedM:cpd01835 JLTDJTHDQAWBAV-UHFFFAOYSA-N	N,N-Dimethylaniline Dimethylaminobenzene N,N-Dimethylbenzenamine N,N-dimethylaniline
metacyc.compound:NN-DIMETHYLANILINE metacycM:NN-DIMETHYLANILINE JLTDJTHDQAWBAV-UHFFFAOYSA-N	N,N-dimethylaniline
hmdb:HMDB01020 chebi:12423 chebi:21452 chebi:7074 keggC:M_C02846 seedM:M_cpd01835 vmhM:M_dmamnben	secondary/obsolete/fantasy identifier