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

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p-aminodiphenylamine

	Properties	Image
MNX_ID	MNXM66187
reference	chebi:59038
formula	C₁₂H₁₂N₂
global charge	0
mol weight	184.242
InChIKey	ATGUVEKSASEFFO-UHFFFAOYSA-N
InChI	InChI=1S/C12H12N2/c13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11/h1-9,14H,13H2
SMILES	NC1=CC=C(NC2=CC=CC=C2)C=C1

MNX internals

InChI (mnx)	InChI=1/C12H12N2/c13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11/h1-9,14H,13H2
SMILES (mnx)	[CH:1]1=[CH:2][CH:4]=[C:11]([NH:14][C:12]2=[CH:9][CH:7]=[C:10]([NH2:13])[CH:6]=[CH:8]2)[CH:5]=[CH:3]1

Parent-child relations graph

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

Similar chemical compounds in external resources
Identifier	Description
CHEBI:59038 chebi:59038 ATGUVEKSASEFFO-UHFFFAOYSA-N	p-aminodiphenylamine 4-Aminodiphenylamine Azosalt R Luxan Black R N, 4'-Bianiline N-(4-Aminophenyl)aniline N-4'-Bianiline N-Phenyl-1,4-benzenediamine N-Phenyl-1,4-phenylenediamine N-Phenyl-p-aminoaniline N-Phenyl-p-phenylenediamine N-phenylbenzene-1,4-diamine p-(Phenylamino)aniline p-Aminodiphenylamine p-Anilinoaniline p-Semidine
sabiork.compound:26964 sabiorkM:26964 ATGUVEKSASEFFO-UHFFFAOYSA-N	4-Aminodiphenylamine
hmdb:HMDB0246356 ATGUVEKSASEFFO-UHFFFAOYSA-N	N-Phenyl-p-phenylenediamine 4-Aminodiphenylamine 4-Aminodiphenylamine monohydrochloride 4-Aminodiphenylamine sulfate 4-Aminodiphenylamine sulfate (2:1) Azosalt R Luxan black R N, 4'-Bianiline N-(4-Aminophenyl)aniline N-4'-Bianiline N-Phenyl-1,4-benzenediamine N-Phenyl-1,4-phenylenediamine N-Phenyl-P-phenylenediamine N-Phenyl-p-aminoaniline N-phenyl-p-phenylenediamine N1-phenylbenzene-1,4-diamine Para-aminodiphenylamine Semidine p-(Phenylamino)aniline p-Aminodiphenylamine p-Anilinoaniline p-Semidine
envipath:...5425969ab787 envipathM:...5425969ab787 ATGUVEKSASEFFO-UHFFFAOYSA-N	compound 0047305