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

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4-aminotoluene

	Properties	Image
MNX_ID	MNXM66255
reference	chebi:37825
formula	C₇H₉N
global charge	0
mol weight	107.156
InChIKey	RZXMPPFPUUCRFN-UHFFFAOYSA-N
InChI	InChI=1S/C7H9N/c1-6-2-4-7(8)5-3-6/h2-5H,8H2,1H3
SMILES	CC1=CC=C(N)C=C1

MNX internals

InChI (mnx)	InChI=1/C7H9N/c1-6-2-4-7(8)5-3-6/h2-5H,8H2,1H3
SMILES (mnx)	[CH3:1][C:6]1=[CH:3][CH:5]=[C:7]([NH2:8])[CH:4]=[CH:2]1

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:37825 chebi:37825 RZXMPPFPUUCRFN-UHFFFAOYSA-N	4-aminotoluene 4-Aminotoluene 4-Methylbenzenamine 4-Toluidine 4-methylaniline p-Methylbenzenamine p-Tolylamine p-toluidine
envipath:...661393d4d772 envipathM:...661393d4d772 RZXMPPFPUUCRFN-UHFFFAOYSA-N	compound 0051676
sabiork.compound:26562 sabiorkM:26562 RZXMPPFPUUCRFN-UHFFFAOYSA-N	p-Toluidine 4-Aminotoluene
hmdb:HMDB0256058 RZXMPPFPUUCRFN-UHFFFAOYSA-N	p-Toluidine 4-Aminotoluene 4-Methylbenzenamine 4-Toluidine 4-Toluidine dihydrofluoride 4-Toluidine hydrobromide 4-Toluidine hydrochloride 4-Toluidine ion(1+) 4-Toluidine nitrate 4-Toluidine perchlorate 4-Toluidine tosylate 4-Toluidine, monolithium salt 4-Toluidine, sodium salt 4-methylaniline P-toluidine Para-toluidine p-Methylbenzenamine p-Tolylamine
metacyc.compound:CPD-13594 metacycM:CPD-13594 seed.compound:cpd23949 seedM:cpd23949 RZXMPPFPUUCRFN-UHFFFAOYSA-N	p-toluidine
seedM:M_cpd23949	secondary/obsolete/fantasy identifier