2,5-diaminoterephthalic acid (CED0034066)

Record Information
Version1.0
Creation Date2026-08-25 03:54:47 UTC
Update Date2026-08-25 03:54:47 UTC
SynCED IDCED0034066
Secondary Accession Numbers
  • CHEM259245
Identification
Common Name2,5-diaminoterephthalic acid
ClassSmall Molecule
Description
2,5-diaminoterephthalic acid is an organic compound with the chemical formula C8H8N2O4 and an average molecular weight of 196.16 g/mol. 2,5-diaminoterephthalic acid belongs to the benzoic acids and derivatives, a subclass of benzene and substituted derivatives within the organic compounds. It is further classified under the superclass of benzenoids. This compound has been found in or released from three recorded sources, specifically relating to electrical and electronic equipment. These sources include superconducting magnets and superconducting coils, as well as superconductive or hyperconductive conductors, cables, or transmission lines.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC8H8N2O4
Average Molecular Mass196.160 g/mol
Monoisotopic Mass196.048 g/mol
CAS Registry Number945-30-2
IUPAC NameNot Available
Traditional NameNot Available
SMILESNot Available
InChI IdentifierInChI=1S/C8H8N2O4/c9-5-1-3(7(11)12)6(10)2-4(5)8(13)14/h1-2H,9-10H2,(H,11,12)(H,13,14)
InChI KeyWIOZZYWDYUOMAY-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
Toxicity Values
Toxicity ValueOrganismDose DescriptorRoute of ExposurePredicted or ExperimentalToxicity RatingReference
1797.0 Log mg/kg [1000:3200]RatLD50oralpredictedNot AvailableNot Available
Toxicity / Toxin ClassNot Available
Mechanism of ToxicityNot Available
Carcinogenicity (IARC Classification)Not Available
Minimum Risk LevelNot Available
SymptomsNot Available
TreatmentNot Available
Health Effects
Health EffectRelationshipDirectionDescriptionReference
Exposure Sources
Source IDSourceSectorReference
CEDs000508Coils?Coils are components used in various electrical and electronic applications, such as transformers, inductors, and motors.Electrical & Electronic EquipmentPubChem
CEDs000511Conductors Or Conductive Bodies Characterised By The Conductive Materials?Conductors, or conductive bodies, are materials that allow the flow of electrical current, typically made from metals such as copper, aluminum, or silver.Electrical & Electronic EquipmentPubChem
CEDs000519Electrodes?Electrodes, used in various electrical and electronic applications, can be a source of synthetic chemical contamination due to the materials from which they are constructed and the processes involved in their manufacturing.Electrical & Electronic EquipmentPubChem
CEDs000521Fixed Capacitors And Their Manufacture?Fixed capacitors are passive electronic components used to store and release electrical energy, playing a critical role in various circuits.Electrical & Electronic EquipmentPubChem
CEDs000524Hybrid Capacitors?Hybrid capacitors are energy storage devices that combine the properties of electrolytic and supercapacitors, utilizing a combination of electrochemical principles to achieve higher energy density and power density.Electrical & Electronic EquipmentPubChem
CEDs000535Superconducting Magnets And Superconducting Coils?Superconducting magnets and coils are utilized in various applications that require strong magnetic fields, such as magnetic resonance imaging (MRI) and particle accelerators.Electrical & Electronic EquipmentPubChem
CEDs000536Superconductive Or Hyperconductive Conductors Cables Or Transmission Lines?Superconductive or hyperconductive conductors, including cables and transmission lines, are materials that exhibit zero electrical resistance under specific conditions, typically at low temperatures.Electrical & Electronic EquipmentPubChem
CEDs000619Manicure Pedicure?Manicure and pedicure procedures often involve the use of various synthetic chemicals, including solvents, nail polishes, and nail adhesives.Personal care & cosmeticsPubChem
CEDs000688Glass Coatings?Glass coatings are synthetic chemical formulations applied to glass surfaces to enhance properties such as durability, UV resistance, and aesthetic appeal.Building & ConstructionPubChem
CEDs000696Nanotechnology?Nanotechnology involves the manipulation of materials at the molecular or atomic level, typically within the range of 1 to 100 nanometers.Industrial manufacturing & chemical processingPubChem
CEDs000735Explosives?Explosives are chemical compounds or mixtures designed to undergo rapid decomposition, releasing energy in the form of gas and heat.Defense & military infrastructurePubChem
CEDs000739Inks?Inks are complex mixtures composed of pigments or dyes, solvents, resins, and additives used primarily for printing and writing applications.Paper, pulp & fiber productsPubChem
CEDs000744Water, Wastewater, & Sewage Treatment?Water, wastewater, and sewage treatment processes are critical for managing and mitigating pollutants in water systems.Wastewater, sanitation & biosolidsPubChem
Pathways
0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Click to view 3D structureD-aspartate oxidaseQ922Z0Mus musculusPredicted (SEA)
Prediction Confidence Score
0.357
Applicability Domain
0.357
Statistical Significance
2.00e-05
Supporting Reference Compounds
1
E-value
0.155698
Click to view 3D structureD-aspartate oxidaseD3ZDM7Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.357
Applicability Domain
0.357
Statistical Significance
2.00e-05
Supporting Reference Compounds
1
E-value
0.155698
3-hydroxyanthranilate 3,4-dioxygenase structureClick to view 3D structure3-hydroxyanthranilate 3,4-dioxygenaseP46952HumansPredicted (SEA)
Prediction Confidence Score
0.355
Applicability Domain
0.355
Statistical Significance
1.00e-05
Supporting Reference Compounds
1
E-value
0.0778492
Click to view 3D structure3-hydroxyanthranilate 3,4-dioxygenaseP46953Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.355
Applicability Domain
0.355
Statistical Significance
1.00e-05
Supporting Reference Compounds
1
E-value
0.0778492
HTH-type transcriptional regulator MgrA structureClick to view 3D structureHTH-type transcriptional regulator MgrAP0C1S0Staphylococcus aureusPredicted (SEA)
Prediction Confidence Score
0.345
Applicability Domain
0.345
Statistical Significance
1.60e-04
Supporting Reference Compounds
1
E-value
1.24559
Carbonic anhydrase 2 structureClick to view 3D structureCarbonic anhydrase 2P00918HumansPredicted (SEA)
Prediction Confidence Score
0.334
Applicability Domain
0.36
Statistical Significance
0.0224
Supporting Reference Compounds
472
E-value
174.616
Carbonic anhydrase 12 structureClick to view 3D structureCarbonic anhydrase 12O43570HumansPredicted (SEA)
Prediction Confidence Score
0.334
Applicability Domain
0.36
Statistical Significance
0.0156
Supporting Reference Compounds
332
E-value
121.523
Carbonic anhydrase 1 structureClick to view 3D structureCarbonic anhydrase 1P00915HumansPredicted (SEA)
Prediction Confidence Score
0.334
Applicability Domain
0.36
Statistical Significance
0.0191
Supporting Reference Compounds
407
E-value
148.614
Carbonic anhydrase 9 structureClick to view 3D structureCarbonic anhydrase 9Q16790HumansPredicted (SEA)
Prediction Confidence Score
0.323
Applicability Domain
0.355
Statistical Significance
0.0215
Supporting Reference Compounds
372
E-value
167.064
Carbonic anhydrase 7 structureClick to view 3D structureCarbonic anhydrase 7P43166HumansPredicted (SEA)
Prediction Confidence Score
0.323
Applicability Domain
0.355
Statistical Significance
0.013
Supporting Reference Compounds
242
E-value
101.438
Carbonic anhydrase 14 structureClick to view 3D structureCarbonic anhydrase 14Q9ULX7HumansPredicted (SEA)
Prediction Confidence Score
0.323
Applicability Domain
0.355
Statistical Significance
0.0099
Supporting Reference Compounds
172
E-value
77.3821
Nicotinate phosphoribosyltransferase structureClick to view 3D structureNicotinate phosphoribosyltransferaseQ6XQN6HumansPredicted (SEA)
Prediction Confidence Score
0.32
Applicability Domain
0.393
Statistical Significance
3.00e-04
Supporting Reference Compounds
12
E-value
2.33548
Click to view 3D structureComplement factor DP32038Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.313
Applicability Domain
0.313
Statistical Significance
2.80e-04
Supporting Reference Compounds
1
E-value
2.17978
Click to view 3D structureCarbonic anhydrase 5A, mitochondrialP35218HumansPredicted (SEA)
Prediction Confidence Score
0.312
Applicability Domain
0.355
Statistical Significance
0.0126
Supporting Reference Compounds
165
E-value
98.4014
Carbonic anhydrase 4 structureClick to view 3D structureCarbonic anhydrase 4P22748HumansPredicted (SEA)
Prediction Confidence Score
0.311
Applicability Domain
0.355
Statistical Significance
0.0113
Supporting Reference Compounds
193
E-value
88.281
Click to view 3D structureAdvanced glycosylation end product-specific receptorQ63495Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.31
Applicability Domain
0.31
Statistical Significance
2.30e-04
Supporting Reference Compounds
1
E-value
1.79053
Carbonic anhydrase 6 structureClick to view 3D structureCarbonic anhydrase 6P23280HumansPredicted (SEA)
Prediction Confidence Score
0.307
Applicability Domain
0.355
Statistical Significance
0.0102
Supporting Reference Compounds
151
E-value
79.7954
Click to view 3D structureCarbonic anhydrase 13Q9D6N1Mus musculusPredicted (SEA)
Prediction Confidence Score
0.307
Applicability Domain
0.355
Statistical Significance
0.0057
Supporting Reference Compounds
70
E-value
44.2962
Click to view 3D structureCarbonic anhydrase 5B, mitochondrialQ9Y2D0HumansPredicted (SEA)
Prediction Confidence Score
0.307
Applicability Domain
0.355
Statistical Significance
0.011
Supporting Reference Compounds
157
E-value
85.9455
Carbonic anhydrase 3 structureClick to view 3D structureCarbonic anhydrase 3P07451HumansPredicted (SEA)
Prediction Confidence Score
0.305
Applicability Domain
0.355
Statistical Significance
0.0042
Supporting Reference Compounds
64
E-value
32.541
Click to view 3D structureCarbonic anhydrase 15Q99N23Mus musculusPredicted (SEA)
Prediction Confidence Score
0.305
Applicability Domain
0.36
Statistical Significance
0.0073
Supporting Reference Compounds
78
E-value
56.5964
Prostaglandin G/H synthase 2 structureClick to view 3D structureProstaglandin G/H synthase 2P35354HumansPredicted (SEA)
Prediction Confidence Score
0.299
Applicability Domain
0.462
Statistical Significance
0.0167
Supporting Reference Compounds
201
E-value
130.164
Lysine-specific demethylase 4A structureClick to view 3D structureLysine-specific demethylase 4AO75164HumansPredicted (SEA)
Prediction Confidence Score
0.298
Applicability Domain
0.444
Statistical Significance
0.0017
Supporting Reference Compounds
54
E-value
13.0787
Lysine-specific demethylase 4E structureClick to view 3D structureLysine-specific demethylase 4EB2RXH2HumansPredicted (SEA)
Prediction Confidence Score
0.295
Applicability Domain
0.444
Statistical Significance
0.0022
Supporting Reference Compounds
39
E-value
17.1268
Lysine-specific demethylase 4D structureClick to view 3D structureLysine-specific demethylase 4DQ6B0I6HumansPredicted (SEA)
Prediction Confidence Score
0.287
Applicability Domain
0.444
Statistical Significance
0.0012
Supporting Reference Compounds
20
E-value
9.18621
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available