4-[(4-amino-3-methoxyphenyl)diazenyl]benzenesulfonic acid (CED0238962)

Record Information
Version1.0
Creation Date2026-08-27 23:32:48 UTC
Update Date2026-08-27 23:32:48 UTC
Accession NumberCHEM283071
Identification
Common Name4-[(4-amino-3-methoxyphenyl)diazenyl]benzenesulfonic acid
ClassSmall Molecule
Description
4-[(4-amino-3-methoxyphenyl)diazenyl]benzenesulfonic acid belongs to the azobenzenes, a class of organoheterocyclic compounds within the organic compounds. This compound has the chemical formula C13H13N3O4S and an average molecular weight of 307.33 g/mol.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC13H13N3O4S
Average Molecular MassNot Available
Monoisotopic Mass307.063 g/mol
CAS Registry Number55994-14-4
IUPAC NameNot Available
Traditional NameNot Available
SMILESCOC1=C(C=CC(=C1)N=NC2=CC=C(C=C2)S(=O)(=O)O)N
InChI IdentifierInChI=1S/C13H13N3O4S/c1-20-13-8-10(4-7-12(13)14)16-15-9-2-5-11(6-3-9)21(17,18)19/h2-8H,14H2,1H3,(H,17,18,19)
InChI KeyNXJGNDBIAJFSKQ-UHFFFAOYSA-N
Chemical Taxonomy
ClassificationNot classified
Biological Properties
StatusDetected and Not Quantified
OriginNot Available
Cellular LocationsNot Available
Biofluid LocationsNot Available
Tissue LocationsNot Available
ApplicationsNot Available
Biological RolesNot Available
Chemical RolesNot Available
Organoleptic EffectsNot Available
Physical Properties
StateNot Available
AppearanceNot Available
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
Predicted PropertiesNot Available
Spectra
SpectraNot Available
Toxicity Profile
Mechanism of ToxicityNot Available
Carcinogenicity (IARC Classification)Not Available
Minimum Risk LevelNot Available
SymptomsNot Available
TreatmentNot Available
Toxicity Values
Toxicity ValueUnitValue RangeOrganismDose DescriptorRoute of ExposurePredicted or ExperimentalReference
2737.0Log mg/kg[1500:4900]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
631Anthraquinone DyesTextiles, leather & furnishingsNot Available
648Nitro DyesTextiles, leather & furnishingsNot Available
Pathways
0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Sentrin-specific protease 2 structureClick to view 3D structureSentrin-specific protease 2Q9HC62HumansPredicted (SEA)0.467095
Sentrin-specific protease 7 structureClick to view 3D structureSentrin-specific protease 7Q9BQF6HumansPredicted (SEA)5.68299
Click to view 3D structureSentrin-specific protease 3Q9H4L4HumansPredicted (SEA)0.311397
Carbonic anhydrase 2 structureClick to view 3D structureCarbonic anhydrase 2P00918HumansPredicted (SEA)95.8324
Carbonic anhydrase 9 structureClick to view 3D structureCarbonic anhydrase 9Q16790HumansPredicted (SEA)108.989
Carbonic anhydrase 12 structureClick to view 3D structureCarbonic anhydrase 12O43570HumansPredicted (SEA)99.7249
Click to view 3D structureBeta-carbonic anhydrase 1P9WPJ7Mycobacterium tuberculosisPredicted (SEA)23.6662
Click to view 3D structureCarbonic anhydrase 4Q95323Bos taurusPredicted (SEA)50.2906
Carbonic anhydrase 7 structureClick to view 3D structureCarbonic anhydrase 7P43166HumansPredicted (SEA)120.588
Click to view 3D structurePROBABLE TRANSMEMBRANE CARBONIC ANHYDRASE (CARBONATE DEHYDRATASE) (CARBONIC DEHYDRATASE)P96878Mycobacterium tuberculosisPredicted (SEA)38.7689
Sentrin-specific protease 1 structureClick to view 3D structureSentrin-specific protease 1Q9P0U3HumansPredicted (SEA)1.79053
Carbonic anhydrase 1 structureClick to view 3D structureCarbonic anhydrase 1P00915HumansPredicted (SEA)293.881
Click to view 3D structureCarbonate dehydrataseB2V8E3Sulfurihydrogenibium sp. (strain YO3AOP1)Predicted (SEA)39.5474
Click to view 3D structureCarbonic anhydraseO24855Helicobacter pylori (strain ATCC 700392 / 26695) (Campylobacterpylori)Predicted (SEA)39.9366
Click to view 3D structureCarbonic anhydraseQ6FTL6Candida glabrata CBS 138Predicted (SEA)63.9142
Click to view 3D structureAlpha carbonic anhydraseB5SU02Stylophora pistillataPredicted (SEA)38.3797
Click to view 3D structureCarbonic anhydrase 2Q3I4V7Cryptococcus neoformansPredicted (SEA)54.6502
Carbonic anhydrase 6 structureClick to view 3D structureCarbonic anhydrase 6P23280HumansPredicted (SEA)109.145
Click to view 3D structureCarbonic anhydraseP53615Saccharomyces cerevisiae S288cPredicted (SEA)33.4752
Click to view 3D structureCarbonic anhydrase, alpha familyQ31FD6Thiomicrospira crunogenaPredicted (SEA)39.5474
Carbonic anhydrase 14 structureClick to view 3D structureCarbonic anhydrase 14Q9ULX7HumansPredicted (SEA)146.434
Click to view 3D structureCarbonic anhydraseQ5AJ71Candida albicans (strain SC5314 / ATCC MYA-2876) (Yeast)Predicted (SEA)65.3155
Click to view 3D structureCarbonic anhydraseC0IX24Stylophora pistillataPredicted (SEA)38.3797
Click to view 3D structureCarbonic anhydrase 15Q99N23Mus musculusPredicted (SEA)70.9985
Click to view 3D structureCarbonic anhydrase 5B, mitochondrialQ9Y2D0HumansPredicted (SEA)117.241
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available