2-(2,4-dinitroanilino)-4-methylpentanoic acid (CED0148747)

Record Information
Version1.0
Creation Date2026-08-18 18:15:49 UTC
Update Date2026-08-18 18:15:49 UTC
Accession NumberCHEM165528
Identification
Common Name2-(2,4-dinitroanilino)-4-methylpentanoic acid
ClassSmall Molecule
Description
2-(2,4-dinitroanilino)-4-methylpentanoic acid is an organic compound with the chemical formula C12H15N3O6 and an average molecular weight of 297.26 g/mol. 2-(2,4-dinitroanilino)-4-methylpentanoic acid belongs to the amino acids, peptides, and analogues, a subclass of carboxylic acids and derivatives within the organic compounds. This compound has been identified in or released from 21 recorded sources across several sectors. In the category of electrical and electronic equipment, it is associated with antennas, coils, adjustable resistors, communication cables or conductors, and cores yokes or armatures, among 10 other sources. Within building and construction, it is found in relation to roofs, fencing, and stairs and ramps. Additionally, the compound is linked to food, food processing and cookware, specifically the processing of meats and the preparation of wine or sparkling wine. It has also been recorded in household cleaning and consumer products, specifically tobacco product cases.
Contaminant TypeNot Available
Chemical Structure
SynonymsNot Available
Chemical FormulaC12H15N3O6
Average Molecular Mass297.260 g/mol
Monoisotopic Mass297.096 g/mol
CAS Registry Number10484-03-4
IUPAC NameNot Available
Traditional NameNot Available
SMILESNot Available
InChI IdentifierInChI=1S/C12H15N3O6/c1-7(2)5-10(12(16)17)13-9-4-3-8(14(18)19)6-11(9)15(20)21/h3-4,6-7,10,13H,5H2,1-2H3,(H,16,17)
InChI KeySTMDPCBYJCIZOD-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
8582.0Log mg/kg[4800:15000]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
496FencingBuilding & ConstructionNot Available
499RoofsBuilding & ConstructionNot Available
500Stairs And RampsBuilding & ConstructionNot Available
504Adjustable ResistorsElectrical & Electronic EquipmentNot Available
506AntennasElectrical & Electronic EquipmentNot Available
508CoilsElectrical & Electronic EquipmentNot Available
510Communication Cables Or ConductorsElectrical & Electronic EquipmentNot Available
513Cores Yokes Or ArmaturesElectrical & Electronic EquipmentNot Available
514Discharge LampsElectrical & Electronic EquipmentNot Available
520Emergency Protective DevicesElectrical & Electronic EquipmentNot Available
523Gas Filled Discharge Tubes With Solid CathodeElectrical & Electronic EquipmentNot Available
525Line Transmission SystemsElectrical & Electronic EquipmentNot Available
527MagnetsElectrical & Electronic EquipmentNot Available
529Power CablesElectrical & Electronic EquipmentNot Available
531RelaysElectrical & Electronic EquipmentNot Available
535Superconducting Magnets And Superconducting CoilsElectrical & Electronic EquipmentNot Available
537Television SystemsElectrical & Electronic EquipmentNot Available
538Thin Magnetic FilmsElectrical & Electronic EquipmentNot Available
549Preparation Of Wine Or Sparkling WineFood, food processing & cookwareNot Available
552Processing MeatsFood, food processing & cookwareNot Available
567Tobacco Product CasesHousehold cleaning & consumer productsNot Available
583Anchoring EquipmentMarine, shipping & aquacultureNot Available
584BuoysMarine, shipping & aquacultureNot Available
589Life BuoysMarine, shipping & aquacultureNot Available
592Marine Propulsion Or SteeringMarine, shipping & aquacultureNot Available
619Manicure PedicurePersonal care & cosmeticsNot Available
630ToysRecreation & sports surfacesNot Available
638Decorating TextilesTextiles, leather & furnishingsNot Available
643HeadwearTextiles, leather & furnishingsNot Available
650Purses Luggage Hand BagsTextiles, leather & furnishingsNot Available
652RopesTextiles, leather & furnishingsNot Available
653SewingTextiles, leather & furnishingsNot Available
658Touch FastenersTextiles, leather & furnishingsNot Available
659Transfer PrintingTextiles, leather & furnishingsNot Available
Pathways
0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Click to view 3D structurePutative nitroreductaseQ4A0P1Staphylococcus saprophyticus subsp. saprophyticus (strain ATCC 15305 / DSM20229 / NCIMB 8711 / NCTC 7292 / S-41)Predicted (SEA)0.155698
Click to view 3D structureCytosol aminopeptidaseP00727Bos taurusPredicted (SEA)32.6967
Aldo-keto reductase family 1 member C3 structureClick to view 3D structureAldo-keto reductase family 1 member C3P42330HumansPredicted (SEA)36.9005
Aldo-keto reductase family 1 member C2 structureClick to view 3D structureAldo-keto reductase family 1 member C2P52895HumansPredicted (SEA)29.8941
Small ubiquitin-related modifier 1 structureClick to view 3D structureSmall ubiquitin-related modifier 1P63165HumansPredicted (SEA)23.8997
Prostaglandin G/H synthase 2 structureClick to view 3D structureProstaglandin G/H synthase 2P35354HumansPredicted (SEA)129.308
Click to view 3D structureNeprilysinQ61391Mus musculusPredicted (SEA)57.6084
Endolysin structureClick to view 3D structureEndolysinP00720Enterobacteria phage T4Predicted (SEA)10.1204
Click to view 3D structureAminopeptidase NP15145Sus scrofaPredicted (SEA)87.269
Caspase-3 structureClick to view 3D structureCaspase-3P42574HumansPredicted (SEA)131.565
72 kDa type IV collagenase structureClick to view 3D structure72 kDa type IV collagenaseP08253HumansPredicted (SEA)458.454
Procathepsin L structureClick to view 3D structureProcathepsin LP07711HumansPredicted (SEA)274.652
Matrix metalloproteinase-9 structureClick to view 3D structureMatrix metalloproteinase-9P14780HumansPredicted (SEA)449.112
Prostaglandin G/H synthase 1 structureClick to view 3D structureProstaglandin G/H synthase 1P23219HumansPredicted (SEA)127.283
Proenkephalin-B structureClick to view 3D structureProenkephalin-BP01213HumansPredicted (SEA)123.469
Androgen receptor structureClick to view 3D structureAndrogen receptorP10275HumansPredicted (SEA)97.7786
Caspase-6 structureClick to view 3D structureCaspase-6P55212HumansPredicted (SEA)69.208
Click to view 3D structureStreptokinase AP10520Streptococcus pyogenes serotype M1Predicted (SEA)340.59
Click to view 3D structureATP-dependent molecular chaperone HSP82C4YTQ8Candida albicans (strain WO-1) (Yeast)Predicted (SEA)139.895
Click to view 3D structureLeucine--tRNA ligaseQ2FXH2Staphylococcus aureus (strain NCTC 8325)Predicted (SEA)29.8941
Cathepsin B structureClick to view 3D structureCathepsin BP07858HumansPredicted (SEA)317.236
Click to view 3D structureHydroxyacylglutathione hydrolase, mitochondrialO35952Rattus norvegicusPredicted (SEA)5.3716
Aminopeptidase N structureClick to view 3D structureAminopeptidase NP15144HumansPredicted (SEA)186.449
Angiotensin-converting enzyme structureClick to view 3D structureAngiotensin-converting enzymeP12821HumansPredicted (SEA)236.662
Click to view 3D structureGlutathionylspermidine synthaseP90518Crithidia fasciculataPredicted (SEA)33.2416
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available