4-methoxy-1-n-methylbenzene-1,2-diamine (CED0210700)

Record Information
Version1.0
Creation Date2026-08-24 13:11:04 UTC
Update Date2026-08-24 13:11:04 UTC
SynCED IDCED0210700
Secondary Accession Numbers
  • CHEM249766
Identification
Common Name4-methoxy-1-n-methylbenzene-1,2-diamine
ClassSmall Molecule
Description
4-methoxy-1-n-methylbenzene-1,2-diamine belongs to the aminophenyl ethers, a subclass of phenol ethers within the organic compounds. This benzenoid compound has the formula C8H12N2O and an average molecular weight of 152.19 g/mol.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC8H12N2O
Average Molecular Mass152.190 g/mol
Monoisotopic Mass152.095 g/mol
CAS Registry Number3360-78-9
IUPAC NameNot Available
Traditional NameNot Available
SMILESNot Available
InChI IdentifierInChI=1S/C8H12N2O/c1-10-8-4-3-6(11-2)5-7(8)9/h3-5,10H,9H2,1-2H3
InChI KeyLJGJDFAHHABYEF-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
902.0 Log mg/kg [510:1600]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
CEDs000537Television Systems?Television systems can be a source of synthetic chemical contamination due to the various materials and components used in their manufacture and operation.Electrical & Electronic EquipmentPubChem
Pathways
0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Cytochrome P450 1A2 structureClick to view 3D structureCytochrome P450 1A2P05177HumansPredicted (SEA)
Prediction Confidence Score
0.318
Applicability Domain
0.368
Statistical Significance
0.045
Supporting Reference Compounds
793
E-value
350.244
5-hydroxytryptamine receptor 2C structureClick to view 3D structure5-hydroxytryptamine receptor 2CP08909RatPredicted (SEA)
Prediction Confidence Score
0.317
Applicability Domain
0.351
Statistical Significance
0.018
Supporting Reference Compounds
185
E-value
139.895
Carbonic anhydrase 2 structureClick to view 3D structureCarbonic anhydrase 2P00918HumansPredicted (SEA)
Prediction Confidence Score
0.303
Applicability Domain
0.333
Statistical Significance
0.0431
Supporting Reference Compounds
472
E-value
335.764
Click to view 3D structure5-hydroxytryptamine receptor 2BP30994Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.303
Applicability Domain
0.333
Statistical Significance
0.003
Supporting Reference Compounds
40
E-value
23.5883
Carbonic anhydrase 1 structureClick to view 3D structureCarbonic anhydrase 1P00915HumansPredicted (SEA)
Prediction Confidence Score
0.302
Applicability Domain
0.333
Statistical Significance
0.0368
Supporting Reference Compounds
407
E-value
286.407
Bifunctional dihydrofolate reductase-thymidylate synthase structureClick to view 3D structureBifunctional dihydrofolate reductase-thymidylate synthaseQ07422Toxoplasma gondiiPredicted (SEA)
Prediction Confidence Score
0.301
Applicability Domain
0.315
Statistical Significance
0.0039
Supporting Reference Compounds
89
E-value
30.5169
Click to view 3D structureDihydrofolate reductaseQ920D2Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.301
Applicability Domain
0.315
Statistical Significance
0.0035
Supporting Reference Compounds
82
E-value
27.2472
Dihydrofolate reductase structureClick to view 3D structureDihydrofolate reductaseP00374HumansPredicted (SEA)
Prediction Confidence Score
0.298
Applicability Domain
0.315
Statistical Significance
0.0049
Supporting Reference Compounds
156
E-value
38.3797
Prostaglandin G/H synthase 1 structureClick to view 3D structureProstaglandin G/H synthase 1P23219HumansPredicted (SEA)
Prediction Confidence Score
0.294
Applicability Domain
0.313
Statistical Significance
0.0119
Supporting Reference Compounds
136
E-value
92.4849
Dihydrofolate reductase structureClick to view 3D structureDihydrofolate reductaseP16184Pneumocystis cariniiPredicted (SEA)
Prediction Confidence Score
0.293
Applicability Domain
0.315
Statistical Significance
0.0034
Supporting Reference Compounds
62
E-value
26.313
Aldo-keto reductase family 1 member C3 structureClick to view 3D structureAldo-keto reductase family 1 member C3P42330HumansPredicted (SEA)
Prediction Confidence Score
0.292
Applicability Domain
0.3
Statistical Significance
0.0082
Supporting Reference Compounds
57
E-value
64.1478
Dihydrofolate reductase structureClick to view 3D structureDihydrofolate reductaseP0ABQ4Escherichia coli (strain K12)Predicted (SEA)
Prediction Confidence Score
0.292
Applicability Domain
0.304
Statistical Significance
0.0042
Supporting Reference Compounds
92
E-value
32.7745
Cytochrome P450 1B1 structureClick to view 3D structureCytochrome P450 1B1Q16678HumansPredicted (SEA)
Prediction Confidence Score
0.288
Applicability Domain
0.314
Statistical Significance
0.0101
Supporting Reference Compounds
88
E-value
78.6277
Cytochrome P450 1A1 structureClick to view 3D structureCytochrome P450 1A1P04798HumansPredicted (SEA)
Prediction Confidence Score
0.288
Applicability Domain
0.314
Statistical Significance
0.008
Supporting Reference Compounds
77
E-value
62.4351
Cytochrome P450 3A4 structureClick to view 3D structureCytochrome P450 3A4P08684HumansPredicted (SEA)
Prediction Confidence Score
0.287
Applicability Domain
0.368
Statistical Significance
0.2346
Supporting Reference Compounds
1538
E-value
1826.19
Aldo-keto reductase family 1 member C2 structureClick to view 3D structureAldo-keto reductase family 1 member C2P52895HumansPredicted (SEA)
Prediction Confidence Score
0.286
Applicability Domain
0.294 Low confidence
Statistical Significance
0.0079
Supporting Reference Compounds
40
E-value
61.5787
Click to view 3D structureAryl hydrocarbon receptorO02747Oryctolagus cuniculusPredicted (SEA)
Prediction Confidence Score
0.286
Applicability Domain
0.314
Statistical Significance
0.0012
Supporting Reference Compounds
7
E-value
9.18621
5-hydroxytryptamine receptor 2A structureClick to view 3D structure5-hydroxytryptamine receptor 2AP14842Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.286
Applicability Domain
0.351
Statistical Significance
0.0543
Supporting Reference Compounds
380
E-value
422.566
5-hydroxytryptamine receptor 2C structureClick to view 3D structure5-hydroxytryptamine receptor 2CP28335HumansPredicted (SEA)
Prediction Confidence Score
0.284
Applicability Domain
0.302
Statistical Significance
0.1
Supporting Reference Compounds
823
E-value
778.337
Cytochrome P450 2D6 structureClick to view 3D structureCytochrome P450 2D6P10635HumansPredicted (SEA)
Prediction Confidence Score
0.283
Applicability Domain
0.368
Statistical Significance
0.1792
Supporting Reference Compounds
1130
E-value
1395.14
Click to view 3D structureTransient receptor potential cation channel subfamily A member 1Q6RI86Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.282
Applicability Domain
0.324
Statistical Significance
0.0032
Supporting Reference Compounds
56
E-value
24.6004
Transient receptor potential cation channel subfamily V member 1 structureClick to view 3D structureTransient receptor potential cation channel subfamily V member 1Q8NER1HumansPredicted (SEA)
Prediction Confidence Score
0.282
Applicability Domain
0.324
Statistical Significance
0.0155
Supporting Reference Compounds
104
E-value
120.9
Prostaglandin G/H synthase 2 structureClick to view 3D structureProstaglandin G/H synthase 2P35354HumansPredicted (SEA)
Prediction Confidence Score
0.281
Applicability Domain
0.314
Statistical Significance
0.0289
Supporting Reference Compounds
201
E-value
224.829
Aromatase structureClick to view 3D structureAromataseP11511HumansPredicted (SEA)
Prediction Confidence Score
0.279
Applicability Domain
0.316
Statistical Significance
0.0139
Supporting Reference Compounds
127
E-value
108.133
Click to view 3D structure5-hydroxytryptamine receptor 1AP19327Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.278
Applicability Domain
0.302
Statistical Significance
0.0875
Supporting Reference Compounds
541
E-value
680.947
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available