N-[(e)-ethylideneamino]-2,4-dinitroaniline (CED0218385)

Record Information
Version1.0
Creation Date2026-08-25 04:09:23 UTC
Update Date2026-08-25 04:09:23 UTC
Accession NumberCHEM259376
Identification
Common NameN-[(e)-ethylideneamino]-2,4-dinitroaniline
ClassSmall Molecule
Description
N-[(e)-ethylideneamino]-2,4-dinitroaniline (C8H8N4O4) is an organic compound with an average molecular weight of 224.17 g/mol. N-[(e)-ethylideneamino]-2,4-dinitroaniline belongs to the nitrobenzenes, a subclass of benzene and substituted derivatives within the organic compounds. This benzenoid substance has been identified in or released from two recorded sources, specifically household cleaning and consumer products, including pipe accessories and other smoking requisites.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC8H8N4O4
Average Molecular Mass224.170 g/mol
Monoisotopic Mass224.055 g/mol
CAS Registry Number1019-57-4
IUPAC NameNot Available
Traditional NameNot Available
SMILESNot Available
InChI IdentifierInChI=1S/C8H8N4O4/c1-2-9-10-7-4-3-6(11(13)14)5-8(7)12(15)16/h2-5,10H,1H3/b9-2+
InChI KeyONBOQRNOMHHDFB-XNWCZRBMSA-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
247.0Log mg/kg[140:440]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
560Other Smoking RequisitesHousehold cleaning & consumer productsNot Available
562Pipe AccessoriesHousehold cleaning & consumer productsNot 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)0.0778492
Small ubiquitin-related modifier 1 structureClick to view 3D structureSmall ubiquitin-related modifier 1P63165HumansPredicted (SEA)4.20386
Click to view 3D structureGenome polyproteinP29990dengue virus type 2Predicted (SEA)8.64126
Click to view 3D structureATP-dependent molecular chaperone HSP82C4YTQ8Candida albicans (strain WO-1) (Yeast)Predicted (SEA)30.9061
Click to view 3D structureGlucose-6-phosphate dehydrogenase-6-phosphogluconolactonaseQ9BHT9Plasmodium bergheiPredicted (SEA)8.56341
Endolysin structureClick to view 3D structureEndolysinP00720Enterobacteria phage T4Predicted (SEA)5.99439
Click to view 3D structureNonstructural protein 1Q194T2Influenza A virusPredicted (SEA)20.4743
Sentrin-specific protease 7 structureClick to view 3D structureSentrin-specific protease 7Q9BQF6HumansPredicted (SEA)62.2794
Click to view 3D structureProtein TatP04608Human immunodeficiency virus type 1 group M subtype B (isolate HXB2)(HIV-1)Predicted (SEA)15.0249
Click to view 3D structureSentrin-specific protease 6Q9GZR1HumansPredicted (SEA)15.1806
Dual specificity protein phosphatase 3 structureClick to view 3D structureDual specificity protein phosphatase 3P51452HumansPredicted (SEA)31.0618
Click to view 3D structureStreptokinase AP10520Streptococcus pyogenes serotype M1Predicted (SEA)143.71
Click to view 3D structureThioredoxin reductaseP61076Plasmodium falciparum 3D7Predicted (SEA)0.778492
Prostaglandin G/H synthase 2 structureClick to view 3D structureProstaglandin G/H synthase 2P35354HumansPredicted (SEA)119.654
Tyrosine-protein phosphatase non-receptor type 11 structureClick to view 3D structureTyrosine-protein phosphatase non-receptor type 11Q06124HumansPredicted (SEA)41.1822
DNA (cytosine-5)-methyltransferase 1 structureClick to view 3D structureDNA (cytosine-5)-methyltransferase 1P26358HumansPredicted (SEA)59.8661
Induced myeloid leukemia cell differentiation protein Mcl-1 structureClick to view 3D structureInduced myeloid leukemia cell differentiation protein Mcl-1Q07820HumansPredicted (SEA)161.771
Tyrosine-protein phosphatase non-receptor type 5 structureClick to view 3D structureTyrosine-protein phosphatase non-receptor type 5P54829HumansPredicted (SEA)9.57545
Sentrin-specific protease 8 structureClick to view 3D structureSentrin-specific protease 8Q96LD8HumansPredicted (SEA)24.5225
Caspase-3 structureClick to view 3D structureCaspase-3P42574HumansPredicted (SEA)126.349
Acetylcholinesterase structureClick to view 3D structureAcetylcholinesteraseP22303HumansPredicted (SEA)591.421
Cholinesterase structureClick to view 3D structureCholinesteraseP06276HumansPredicted (SEA)350.166
Small ubiquitin-related modifier 2 structureClick to view 3D structureSmall ubiquitin-related modifier 2P61956HumansPredicted (SEA)7.55137
Carboxy-terminal domain RNA polymerase II polypeptide A small phosphatase 1 structureClick to view 3D structureCarboxy-terminal domain RNA polymerase II polypeptide A small phosphatase 1Q9GZU7HumansPredicted (SEA)145.5
Carbonic anhydrase 2 structureClick to view 3D structureCarbonic anhydrase 2P00918HumansPredicted (SEA)719.638
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available