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

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1,4-phenylenediamine

	Properties	Image
MNX_ID	MNXM13847
reference	chebi:51403
formula	C₆H₈N₂
global charge	0
mol weight	108.144
InChIKey	CBCKQZAAMUWICA-UHFFFAOYSA-N
InChI	InChI=1S/C6H8N2/c7-5-1-2-6(8)4-3-5/h1-4H,7-8H2
SMILES	NC1=CC=C(N)C=C1

MNX internals

InChI (mnx)	InChI=1/C6H8N2/c7-5-1-2-6(8)4-3-5/h1-4H,7-8H2
SMILES (mnx)	[CH:1]1=[CH:2][C:6]([NH2:8])=[CH:4][CH:3]=[C:5]1[NH2:7]

Parent-child relations graph

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

Similar chemical compounds in external resources
Identifier	Description
CHEBI:51403 chebi:51403 CBCKQZAAMUWICA-UHFFFAOYSA-N	1,4-phenylenediamine 1,4-Benzenediamine 1,4-diaminobenzene 4-Aminoaniline 4-phenylenediamine PPD PPDA benzene-1,4-diamine p-Diaminobenzene p-Phenylenediamine p-phenylenediamine base pPDA para-phenylenediamine paraphenylene-diamine paraphenylenediamine
metacyc.compound:CPD-10835 metacycM:CPD-10835 CBCKQZAAMUWICA-UHFFFAOYSA-N	4-aminobenzylamine 4-aminoaniline p-phenylenediamine
envipath:...bbf686f03c99 envipathM:...bbf686f03c99 CBCKQZAAMUWICA-UHFFFAOYSA-N	compound 0045605
hmdb:HMDB0256055 CBCKQZAAMUWICA-UHFFFAOYSA-N	p-Phenylenediamine 1,4-Benzenediamine 1,4-Diaminobenzene 1,4-Phenyldiamine 1,4-Phenylenediamine 4-Aminoaniline 4-Phenylenediamine 4-Phenylenediamine bromide, ion(1+) 4-Phenylenediamine dihydrochloride 4-Phenylenediamine diperchlorate 4-Phenylenediamine ion (1+) 4-Phenylenediamine monohydrobromide 4-Phenylenediamine monohydrochloride 4-Phenylenediamine monohydroiodide 4-Phenylenediamine monooxalate 4-Phenylenediamine monoperchlorate 4-Phenylenediamine monosulfate 4-Phenylenediamine sulfate Black henna PPD PPDA Para-phenylenediamine Paraphenylene-diamine Paraphenylenediamine Ursol-D benzene-1,4-diamine p-Diaminobenzene p-Phenylenediamine base p-phenylenediamine
sabiork.compound:27372 sabiorkM:27372 CBCKQZAAMUWICA-UHFFFAOYSA-N	p-Phenylenediamine p-Diaminobenzene
kegg.compound:C19499 keggC:C19499 CBCKQZAAMUWICA-UHFFFAOYSA-N	para-Phenylenediamine 1,4-Benzenediamine
seed.compound:cpd20754 seedM:cpd20754 CBCKQZAAMUWICA-UHFFFAOYSA-N	para-Phenylenediamine 1,4-Benzenediamine 4-aminoaniline 4-aminobenzylamine p-phenylenediamine
chebi:521550 keggC:M_C19499 seedM:M_cpd20754	secondary/obsolete/fantasy identifier