N-[(3-nitrophenyl)methylidene]hydroxylamine (CED0312376)

Record Information
Version1.0
Creation Date2026-09-01 11:28:32 UTC
Update Date2026-09-01 11:28:32 UTC
SynCED IDCED0312376
Secondary Accession Numbers
  • CHEM358194
Identification
Common NameN-[(3-nitrophenyl)methylidene]hydroxylamine
ClassSmall Molecule
Description
N-[(3-nitrophenyl)methylidene]hydroxylamine is a chemical compound with the formula C7H6N2O3. It has an average molecular weight of 166.13 g/mol.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC7H6N2O3
Average Molecular MassNot Available
Monoisotopic Mass166.038 g/mol
CAS Registry Number3431-62-7
IUPAC NameNot Available
Traditional NameNot Available
SMILESC1=CC(=CC(=C1)[N+](=O)[O-])C=NO
InChI IdentifierInChI=1S/C7H6N2O3/c10-8-5-6-2-1-3-7(4-6)9(11)12/h1-5,10H
InChI KeyGQMMRLBWXCGBEV-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
Spectra
Spectrum TypeDescriptionSplash KeyDeposition DateView
Predicted GC-MSPredicted GC-MS Spectrumsplash10-00kb-9700000000-3f20d854def7b448c4a6Not AvailableView Spectrum
Predicted GC-MSPredicted GC-MS SpectrumNot AvailableNot AvailableView Spectrum
Toxicity Profile
Toxicity Values
Toxicity ValueOrganismDose DescriptorRoute of ExposurePredicted or ExperimentalToxicity RatingReference
726.0 Log mg/kg [410:1300]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 EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
CEDs000600Herbicides And Algicides?Herbicides and algicides are synthetic chemicals primarily used to control unwanted plants and algae in various environments.Agriculture & land managementNot Available
CEDs000744Water, Wastewater, & Sewage Treatment?Water, wastewater, and sewage treatment processes are critical for managing and mitigating pollutants in water systems.Wastewater, sanitation & biosolidsNot Available
Pathways
0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Arylsulfatase structureClick to view 3D structureArylsulfataseP51691Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 / 1C / PRS 101 / LMG 12228)Predicted (SEA)
Prediction Confidence Score
0.39
Applicability Domain
0.39
Statistical Significance
8.00e-05
Supporting Reference Compounds
1
E-value
0.622794
Click to view 3D structureDNA damage-inducible transcript 3 proteinP35639Mus musculusPredicted (SEA)
Prediction Confidence Score
0.358
Applicability Domain
0.412
Statistical Significance
7.70e-04
Supporting Reference Compounds
226
E-value
5.99439
X-box-binding protein 1 structureClick to view 3D structureX-box-binding protein 1P17861HumansPredicted (SEA)
Prediction Confidence Score
0.358
Applicability Domain
0.412
Statistical Significance
7.70e-04
Supporting Reference Compounds
227
E-value
5.99439
Endolysin structureClick to view 3D structureEndolysinP00720Enterobacteria phage T4Predicted (SEA)
Prediction Confidence Score
0.353
Applicability Domain
0.353
Statistical Significance
2.30e-04
Supporting Reference Compounds
1
E-value
1.79053
Click to view 3D structureStreptokinase AP10520Streptococcus pyogenes serotype M1Predicted (SEA)
Prediction Confidence Score
0.343
Applicability Domain
0.457
Statistical Significance
0.0061
Supporting Reference Compounds
425
E-value
47.488
Click to view 3D structureHeat shock factor protein 1P38532Mus musculusPredicted (SEA)
Prediction Confidence Score
0.337
Applicability Domain
0.412
Statistical Significance
0.0017
Supporting Reference Compounds
166
E-value
13.6236
Dual specificity protein phosphatase 3 structureClick to view 3D structureDual specificity protein phosphatase 3P51452HumansPredicted (SEA)
Prediction Confidence Score
0.334
Applicability Domain
0.408
Statistical Significance
0.0016
Supporting Reference Compounds
147
E-value
12.8451
Tyrosine-protein phosphatase non-receptor type 11 structureClick to view 3D structureTyrosine-protein phosphatase non-receptor type 11Q06124HumansPredicted (SEA)
Prediction Confidence Score
0.326
Applicability Domain
0.408
Statistical Significance
0.0026
Supporting Reference Compounds
109
E-value
20.1629
Click to view 3D structureNonstructural protein 1Q194T2Influenza A virusPredicted (SEA)
Prediction Confidence Score
0.318
Applicability Domain
0.373
Statistical Significance
0.0024
Supporting Reference Compounds
104
E-value
18.9952
Tyrosine-protein phosphatase non-receptor type 5 structureClick to view 3D structureTyrosine-protein phosphatase non-receptor type 5P54829HumansPredicted (SEA)
Prediction Confidence Score
0.317
Applicability Domain
0.408
Statistical Significance
5.00e-04
Supporting Reference Compounds
31
E-value
3.89246
Click to view 3D structureATP-dependent molecular chaperone HSP82C4YTQ8Candida albicans (strain WO-1) (Yeast)Predicted (SEA)
Prediction Confidence Score
0.316
Applicability Domain
0.328
Statistical Significance
0.005
Supporting Reference Compounds
205
E-value
38.7689
Carbonic anhydrase 2 structureClick to view 3D structureCarbonic anhydrase 2P00918HumansPredicted (SEA)
Prediction Confidence Score
0.316
Applicability Domain
0.395
Statistical Significance
0.0326
Supporting Reference Compounds
472
E-value
253.866
Fatty acid synthase structureClick to view 3D structureFatty acid synthaseP49327HumansPredicted (SEA)
Prediction Confidence Score
0.313
Applicability Domain
0.321
Statistical Significance
0.0029
Supporting Reference Compounds
117
E-value
22.2649
Click to view 3D structureGlucose-6-phosphate dehydrogenase-6-phosphogluconolactonaseQ9BHT9Plasmodium bergheiPredicted (SEA)
Prediction Confidence Score
0.312
Applicability Domain
0.457
Statistical Significance
0.0014
Supporting Reference Compounds
105
E-value
11.1324
Carbonic anhydrase 1 structureClick to view 3D structureCarbonic anhydrase 1P00915HumansPredicted (SEA)
Prediction Confidence Score
0.307
Applicability Domain
0.395
Statistical Significance
0.0333
Supporting Reference Compounds
407
E-value
259.394
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)
Prediction Confidence Score
0.304
Applicability Domain
0.348
Statistical Significance
0.0059
Supporting Reference Compounds
128
E-value
45.7753
Tyrosine-protein kinase Lck structureClick to view 3D structureTyrosine-protein kinase LckP06239HumansPredicted (SEA)
Prediction Confidence Score
0.297
Applicability Domain
0.368
Statistical Significance
0.1368
Supporting Reference Compounds
1130
E-value
1065.37
Carbonic anhydrase 9 structureClick to view 3D structureCarbonic anhydrase 9Q16790HumansPredicted (SEA)
Prediction Confidence Score
0.297
Applicability Domain
0.395
Statistical Significance
0.0376
Supporting Reference Compounds
372
E-value
293.102
Carbonic anhydrase 12 structureClick to view 3D structureCarbonic anhydrase 12O43570HumansPredicted (SEA)
Prediction Confidence Score
0.297
Applicability Domain
0.395
Statistical Significance
0.0336
Supporting Reference Compounds
332
E-value
261.729
Subtilisin Carlsberg structureClick to view 3D structureSubtilisin CarlsbergP00780Bacillus licheniformisPredicted (SEA)
Prediction Confidence Score
0.294
Applicability Domain
0.472
Statistical Significance
2.00e-05
Supporting Reference Compounds
2
E-value
0.155698
Induced myeloid leukemia cell differentiation protein Mcl-1 structureClick to view 3D structureInduced myeloid leukemia cell differentiation protein Mcl-1Q07820HumansPredicted (SEA)
Prediction Confidence Score
0.29
Applicability Domain
0.328
Statistical Significance
0.0259
Supporting Reference Compounds
343
E-value
201.785
Type-1 angiotensin II receptor structureClick to view 3D structureType-1 angiotensin II receptorP30556HumansPredicted (SEA)
Prediction Confidence Score
0.289
Applicability Domain
0.396
Statistical Significance
0.0224
Supporting Reference Compounds
141
E-value
174.382
Click to view 3D structureProtein-glutamine gamma-glutamyltransferase 2P08587Cavia cutleriPredicted (SEA)
Prediction Confidence Score
0.287
Applicability Domain
0.328
Statistical Significance
5.80e-04
Supporting Reference Compounds
2
E-value
4.51525
Caspase-3 structureClick to view 3D structureCaspase-3P42574HumansPredicted (SEA)
Prediction Confidence Score
0.285
Applicability Domain
0.318
Statistical Significance
0.0186
Supporting Reference Compounds
125
E-value
144.722
Transitional endoplasmic reticulum ATPase structureClick to view 3D structureTransitional endoplasmic reticulum ATPaseP55072HumansPredicted (SEA)
Prediction Confidence Score
0.283
Applicability Domain
0.571
Statistical Significance
0.001
Supporting Reference Compounds
20
E-value
8.09632
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available