α-Ethylaminopentiophenone (CED0028737)

Record Information
Version1.0
Creation Date2026-04-03 03:36:10 UTC
Update Date2026-08-19 01:47:39 UTC
SynCED IDCED0028737
Secondary Accession Numbers
  • CHEM060966
Identification
Common Nameα-Ethylaminopentiophenone
ClassSmall Molecule
Description
α-Ethylaminopentiophenone is an organic compound with the formula C13H19N1O1 and an average molecular weight of 205.30 g/mol. α-Ethylaminopentiophenone belongs to the carbonyl compounds, a subclass of organooxygen compounds within the organic compounds. This substance has been identified in or released from two recorded sources, specifically television systems and line transmission systems within electrical and electronic equipment.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC13H19N1O1
Average Molecular Mass205.300 g/mol
Monoisotopic Mass205.147 g/mol
CAS Registry Number779974-89-9
IUPAC NameNot Available
Traditional NameNot Available
SMILESNot Available
InChI IdentifierInChI=1S/C13H19NO/c1-3-8-12(14-4-2)13(15)11-9-6-5-7-10-11/h5-7,9-10,12,14H,3-4,8H2,1-2H3
InChI KeyQQAHEGDXEXIQPR-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
1564.0 Log mg/kg [880:2800]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
CEDs000525Line Transmission Systems?Line Transmission Systems, commonly used for the distribution of electrical energy, can be a source of synthetic chemical contamination through the insulation materials and coatings utilized in their construction.Electrical & Electronic EquipmentPubChem
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
Histone deacetylase 1 structureClick to view 3D structureHistone deacetylase 1Q13547HumansPredicted (SEA)
Prediction Confidence Score
0.314
Applicability Domain
0.36
Statistical Significance
0.0491
Supporting Reference Compounds
497
E-value
382.162
Click to view 3D structurePeptide deformylaseQ9JN24Escherichia coliPredicted (SEA)
Prediction Confidence Score
0.314
Applicability Domain
0.364
Statistical Significance
4.30e-04
Supporting Reference Compounds
10
E-value
3.34752
Click to view 3D structureAlkaline ceramidase 2Q5QJU3HumansPredicted (SEA)
Prediction Confidence Score
0.306
Applicability Domain
0.306
Statistical Significance
0.002
Supporting Reference Compounds
1
E-value
15.4141
Histone deacetylase 2 structureClick to view 3D structureHistone deacetylase 2Q92769HumansPredicted (SEA)
Prediction Confidence Score
0.305
Applicability Domain
0.36
Statistical Significance
0.0343
Supporting Reference Compounds
307
E-value
267.256
Protein deacetylase HDAC6 structureClick to view 3D structureProtein deacetylase HDAC6Q9UBN7HumansPredicted (SEA)
Prediction Confidence Score
0.299
Applicability Domain
0.343
Statistical Significance
0.0712
Supporting Reference Compounds
553
E-value
554.442
Interstitial collagenase structureClick to view 3D structureInterstitial collagenaseP03956HumansPredicted (SEA)
Prediction Confidence Score
0.299
Applicability Domain
0.327
Statistical Significance
0.0313
Supporting Reference Compounds
258
E-value
243.357
Cathepsin G structureClick to view 3D structureCathepsin GP08311HumansPredicted (SEA)
Prediction Confidence Score
0.297
Applicability Domain
0.396
Statistical Significance
0.0085
Supporting Reference Compounds
55
E-value
66.4832
Chymotrypsin-like elastase family member 2A structureClick to view 3D structureChymotrypsin-like elastase family member 2AP08419Sus scrofaPredicted (SEA)
Prediction Confidence Score
0.297
Applicability Domain
0.396
Statistical Significance
0.0023
Supporting Reference Compounds
23
E-value
18.2946
Macrophage metalloelastase structureClick to view 3D structureMacrophage metalloelastaseP39900HumansPredicted (SEA)
Prediction Confidence Score
0.295
Applicability Domain
0.327
Statistical Significance
0.0252
Supporting Reference Compounds
136
E-value
196.258
Protein RecA structureClick to view 3D structureProtein RecAP9WHJ3Mycobacterium tuberculosisPredicted (SEA)
Prediction Confidence Score
0.294
Applicability Domain
0.318
Statistical Significance
0.0144
Supporting Reference Compounds
296
E-value
112.259
Chymase structureClick to view 3D structureChymaseP23946HumansPredicted (SEA)
Prediction Confidence Score
0.293
Applicability Domain
0.396
Statistical Significance
0.0066
Supporting Reference Compounds
35
E-value
51.1469
Histone deacetylase 3 structureClick to view 3D structureHistone deacetylase 3O15379HumansPredicted (SEA)
Prediction Confidence Score
0.292
Applicability Domain
0.36
Statistical Significance
0.0391
Supporting Reference Compounds
257
E-value
304.079
Collagenase 3 structureClick to view 3D structureCollagenase 3P45452HumansPredicted (SEA)
Prediction Confidence Score
0.292
Applicability Domain
0.327
Statistical Significance
0.0353
Supporting Reference Compounds
269
E-value
274.808
Click to view 3D structurePeptidyl-glycine alpha-amidating monooxygenaseP19021HumansPredicted (SEA)
Prediction Confidence Score
0.292
Applicability Domain
0.292 Low confidence
Statistical Significance
0.0062
Supporting Reference Compounds
1
E-value
48.6558
Histone deacetylase 8 structureClick to view 3D structureHistone deacetylase 8Q9BY41HumansPredicted (SEA)
Prediction Confidence Score
0.292
Applicability Domain
0.36
Statistical Significance
0.0516
Supporting Reference Compounds
317
E-value
401.391
Procathepsin L structureClick to view 3D structureProcathepsin LP07711HumansPredicted (SEA)
Prediction Confidence Score
0.292
Applicability Domain
0.327
Statistical Significance
0.0322
Supporting Reference Compounds
167
E-value
250.441
Cathepsin K structureClick to view 3D structureCathepsin KP43235HumansPredicted (SEA)
Prediction Confidence Score
0.29
Applicability Domain
0.304
Statistical Significance
0.0266
Supporting Reference Compounds
129
E-value
207.235
Histone deacetylase 4 structureClick to view 3D structureHistone deacetylase 4P56524HumansPredicted (SEA)
Prediction Confidence Score
0.288
Applicability Domain
0.36
Statistical Significance
0.0306
Supporting Reference Compounds
185
E-value
238.219
Cathepsin B structureClick to view 3D structureCathepsin BP07858HumansPredicted (SEA)
Prediction Confidence Score
0.288
Applicability Domain
0.293 Low confidence
Statistical Significance
0.034
Supporting Reference Compounds
173
E-value
264.454
Click to view 3D structureChymotrypsinogen BP17538HumansPredicted (SEA)
Prediction Confidence Score
0.288
Applicability Domain
0.396
Statistical Significance
0.002
Supporting Reference Compounds
25
E-value
15.6477
Carbonic anhydrase 9 structureClick to view 3D structureCarbonic anhydrase 9Q16790HumansPredicted (SEA)
Prediction Confidence Score
0.287
Applicability Domain
0.347
Statistical Significance
0.0479
Supporting Reference Compounds
372
E-value
372.742
Carbonic anhydrase 2 structureClick to view 3D structureCarbonic anhydrase 2P00918HumansPredicted (SEA)
Prediction Confidence Score
0.287
Applicability Domain
0.347
Statistical Significance
0.0627
Supporting Reference Compounds
472
E-value
488.504
Carbonic anhydrase 12 structureClick to view 3D structureCarbonic anhydrase 12O43570HumansPredicted (SEA)
Prediction Confidence Score
0.286
Applicability Domain
0.343
Statistical Significance
0.0437
Supporting Reference Compounds
332
E-value
340.279
Neprilysin structureClick to view 3D structureNeprilysinP08473HumansPredicted (SEA)
Prediction Confidence Score
0.286
Applicability Domain
0.3
Statistical Significance
0.0166
Supporting Reference Compounds
51
E-value
129.152
Click to view 3D structureNeprilysinP07861Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.286
Applicability Domain
0.327
Statistical Significance
0.0156
Supporting Reference Compounds
38
E-value
121.289
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available