2-propan-2-ylbenzene-1,4-diamine (CED0222485)

Record Information
Version1.0
Creation Date2026-08-25 12:10:45 UTC
Update Date2026-08-25 12:10:45 UTC
SynCED IDCED0222485
Secondary Accession Numbers
  • CHEM264559
Identification
Common Name2-propan-2-ylbenzene-1,4-diamine
ClassSmall Molecule
Description
2-propan-2-ylbenzene-1,4-diamine (C9H14N2) is an organic compound with an average molecular weight of 150.22 g/mol. 2-propan-2-ylbenzene-1,4-diamine belongs to the cumenes, a subclass of benzene and substituted derivatives within the organic compounds. This benzenoid substance has been identified in or released from one recorded source, which is electrical and electronic equipment specifically antennas.
Contaminant TypeNot Available
Chemical Structure
SynonymsNot Available
Chemical FormulaC9H14N2
Average Molecular Mass150.220 g/mol
Monoisotopic Mass150.116 g/mol
CAS Registry Number31626-02-5
IUPAC NameNot Available
Traditional NameNot Available
SMILESNot Available
InChI IdentifierInChI=1S/C9H14N2/c1-6(2)8-5-7(10)3-4-9(8)11/h3-6H,10-11H2,1-2H3
InChI KeyWNYJRJRHKRZXEO-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
883.0 Log mg/kg [500:1600]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
CEDs000233Brushes?Brushes used in personal care and cosmetics can be a source of synthetic chemical contamination due to the materials and coatings used in their manufacturing.Personal care & cosmeticsPubChem
CEDs000506Antennas?Antennas, commonly used in communication technologies, can be a source of synthetic chemical contamination through the materials and coatings used in their construction.Electrical & Electronic EquipmentPubChem
CEDs000511Conductors Or Conductive Bodies Characterised By The Conductive Materials?Conductors, or conductive bodies, are materials that allow the flow of electrical current, typically made from metals such as copper, aluminum, or silver.Electrical & Electronic EquipmentPubChem
CEDs000519Electrodes?Electrodes, used in various electrical and electronic applications, can be a source of synthetic chemical contamination due to the materials from which they are constructed and the processes involved in their manufacturing.Electrical & Electronic EquipmentPubChem
CEDs000524Hybrid Capacitors?Hybrid capacitors are energy storage devices that combine the properties of electrolytic and supercapacitors, utilizing a combination of electrochemical principles to achieve higher energy density and power density.Electrical & Electronic EquipmentPubChem
CEDs000545Food Preservation?Food preservation often involves the use of synthetic chemicals, such as preservatives, flavor enhancers, and color additives, to extend shelf life and enhance the sensory qualities of food products.Food, food processing & cookwarePubChem
CEDs000561Perfumes Within Detergents And Soaps?Perfumes within detergents and soaps are synthetic fragrance compounds added to enhance the sensory experience of cleaning products.Household cleaning & consumer productsPubChem
CEDs000563Soap Detergents?Soap detergents are synthetic surfactants designed to enhance the cleaning efficacy of water by reducing surface tension, allowing for better interaction with dirt and grease.Household cleaning & consumer productsPubChem
CEDs000589Life Buoys?Life buoys, commonly used in marine environments for safety and rescue operations, can be a source of synthetic chemical contamination due to the materials used in their production.Marine, shipping & aquaculturePubChem
CEDs000609Aftershave?Aftershave is a grooming product typically used to soothe and protect the skin following shaving.Personal care & cosmeticsPubChem
CEDs000611Anti Perspirants Or Body Deoderants?Antiperspirants and body deodorants commonly contain synthetic chemicals such as aluminum compounds, parabens, and synthetic fragrances.Personal care & cosmeticsPubChem
CEDs000613Depilatories?Depilatories are products designed to remove unwanted hair through the application of synthetic chemicals that break down the protein structure of hair, facilitating its removal.Personal care & cosmeticsPubChem
CEDs000615Eye Makeup Products?Eye makeup products, including mascaras, eyeliners, and eyeshadows, often contain a variety of synthetic chemicals such as pigments, preservatives, and film-forming agents.Personal care & cosmeticsPubChem
CEDs000618Lip Makeup Products?Lip makeup products, such as lipsticks, lip glosses, and lip liners, often contain a variety of synthetic chemicals, including pigments, preservatives, and emollients.Personal care & cosmeticsPubChem
CEDs000632Apparel?Apparel production often involves the use of various synthetic chemicals, including dyes, finishing agents, and preservatives.Textiles, leather & furnishingsPubChem
CEDs000642Footwear?Footwear production often involves the use of various synthetic chemicals, such as adhesives, dyes, and treatments, which can contribute to environmental contamination.Textiles, leather & furnishingsPubChem
CEDs000662Yarns Or Threads?Yarns or threads used in textiles can be a source of synthetic chemical contamination due to the production processes and treatments they undergo.Textiles, leather & furnishingsPubChem
CEDs000685Ceramics?Ceramics can be a source of synthetic chemical contamination through various additives and processing agents used in their production.Building & ConstructionPubChem
CEDs000696Nanotechnology?Nanotechnology involves the manipulation of materials at the molecular or atomic level, typically within the range of 1 to 100 nanometers.Industrial manufacturing & chemical processingPubChem
CEDs000734Coating Compositions?Coating compositions, which include paints, sealants, and varnishes, are formulated with a variety of synthetic chemicals such as solvents, resins, pigments, and additives.Building & ConstructionPubChem
CEDs000739Inks?Inks are complex mixtures composed of pigments or dyes, solvents, resins, and additives used primarily for printing and writing applications.Paper, pulp & fiber productsPubChem
CEDs000740Paper?Paper production involves the processing of wood fibers and the use of various chemicals, which can lead to synthetic chemical contamination.Paper, pulp & fiber productsPubChem
Pathways
0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
5-hydroxytryptamine receptor 2B structureClick to view 3D structure5-hydroxytryptamine receptor 2BP41595HumansPredicted (SEA)
Prediction Confidence Score
0.256
Applicability Domain
0.321
Statistical Significance
0.194
Supporting Reference Compounds
686
E-value
1510.2
5-hydroxytryptamine receptor 2C structureClick to view 3D structure5-hydroxytryptamine receptor 2CP28335HumansPredicted (SEA)
Prediction Confidence Score
0.247
Applicability Domain
0.321
Statistical Significance
0.2961
Supporting Reference Compounds
823
E-value
2304.8
Sodium-dependent noradrenaline transporter structureClick to view 3D structureSodium-dependent noradrenaline transporterP23975HumansPredicted (SEA)
Prediction Confidence Score
0.244
Applicability Domain
0.321
Statistical Significance
0.1964
Supporting Reference Compounds
451
E-value
1529.27
Click to view 3D structureCarbonic anhydrase 4Q95323Bos taurusPredicted (SEA)
Prediction Confidence Score
0.234
Applicability Domain
0.242 Low confidence
Statistical Significance
0.0398
Supporting Reference Compounds
64
E-value
309.84
Carbonic anhydrase 9 structureClick to view 3D structureCarbonic anhydrase 9Q16790HumansPredicted (SEA)
Prediction Confidence Score
0.234
Applicability Domain
0.242 Low confidence
Statistical Significance
0.2149
Supporting Reference Compounds
372
E-value
1672.67
Carbonic anhydrase 2 structureClick to view 3D structureCarbonic anhydrase 2P00918HumansPredicted (SEA)
Prediction Confidence Score
0.234
Applicability Domain
0.242 Low confidence
Statistical Significance
0.2619
Supporting Reference Compounds
472
E-value
2039.1
Carbonic anhydrase 12 structureClick to view 3D structureCarbonic anhydrase 12O43570HumansPredicted (SEA)
Prediction Confidence Score
0.234
Applicability Domain
0.242 Low confidence
Statistical Significance
0.1952
Supporting Reference Compounds
332
E-value
1519.54
Click to view 3D structureDelta carbonic anhydraseQ5U9J1Conticribra weissflogiiPredicted (SEA)
Prediction Confidence Score
0.234
Applicability Domain
0.242 Low confidence
Statistical Significance
0.0126
Supporting Reference Compounds
35
E-value
98.4793
Carbonic anhydrase 14 structureClick to view 3D structureCarbonic anhydrase 14Q9ULX7HumansPredicted (SEA)
Prediction Confidence Score
0.234
Applicability Domain
0.242 Low confidence
Statistical Significance
0.1097
Supporting Reference Compounds
172
E-value
853.772
Carbonic anhydrase 4 structureClick to view 3D structureCarbonic anhydrase 4P22748HumansPredicted (SEA)
Prediction Confidence Score
0.234
Applicability Domain
0.242 Low confidence
Statistical Significance
0.1014
Supporting Reference Compounds
193
E-value
789.08
Carbonic anhydrase structureClick to view 3D structureCarbonic anhydraseP40881Methanosarcina thermophilaPredicted (SEA)
Prediction Confidence Score
0.234
Applicability Domain
0.242 Low confidence
Statistical Significance
0.0084
Supporting Reference Compounds
22
E-value
65.7826
Dual specificity protein kinase CLK4 structureClick to view 3D structureDual specificity protein kinase CLK4Q9HAZ1HumansPredicted (SEA)
Prediction Confidence Score
0.233
Applicability Domain
0.27 Low confidence
Statistical Significance
0.475
Supporting Reference Compounds
742
E-value
3698.07
Prostaglandin G/H synthase 1 structureClick to view 3D structureProstaglandin G/H synthase 1P23219HumansPredicted (SEA)
Prediction Confidence Score
0.232
Applicability Domain
0.321
Statistical Significance
0.1107
Supporting Reference Compounds
136
E-value
862.102
Carbonic anhydrase 7 structureClick to view 3D structureCarbonic anhydrase 7P43166HumansPredicted (SEA)
Prediction Confidence Score
0.231
Applicability Domain
0.235 Low confidence
Statistical Significance
0.1606
Supporting Reference Compounds
242
E-value
1250.18
Click to view 3D structureCarbonate dehydrataseB2V8E3Sulfurihydrogenibium sp. (strain YO3AOP1)Predicted (SEA)
Prediction Confidence Score
0.231
Applicability Domain
0.235 Low confidence
Statistical Significance
0.0134
Supporting Reference Compounds
40
E-value
104.474
Click to view 3D structureCarbonic anhydraseO24855Helicobacter pylori (strain ATCC 700392 / 26695) (Campylobacterpylori)Predicted (SEA)
Prediction Confidence Score
0.231
Applicability Domain
0.235 Low confidence
Statistical Significance
0.0157
Supporting Reference Compounds
38
E-value
122.301
Click to view 3D structureCarbonic anhydraseQ6FTL6Candida glabrata CBS 138Predicted (SEA)
Prediction Confidence Score
0.231
Applicability Domain
0.235 Low confidence
Statistical Significance
0.0283
Supporting Reference Compounds
46
E-value
220.158
Click to view 3D structureAlpha carbonic anhydraseB5SU02Stylophora pistillataPredicted (SEA)
Prediction Confidence Score
0.231
Applicability Domain
0.235 Low confidence
Statistical Significance
0.0137
Supporting Reference Compounds
43
E-value
106.731
Carbonic anhydrase 2 structureClick to view 3D structureCarbonic anhydrase 2Q3I4V7Cryptococcus neoformansPredicted (SEA)
Prediction Confidence Score
0.231
Applicability Domain
0.235 Low confidence
Statistical Significance
0.0372
Supporting Reference Compounds
60
E-value
289.366
Carbonic anhydrase 6 structureClick to view 3D structureCarbonic anhydrase 6P23280HumansPredicted (SEA)
Prediction Confidence Score
0.231
Applicability Domain
0.235 Low confidence
Statistical Significance
0.085
Supporting Reference Compounds
151
E-value
661.796
Carbonic anhydrase, alpha family structureClick to view 3D structureCarbonic anhydrase, alpha familyQ31FD6Thiomicrospira crunogenaPredicted (SEA)
Prediction Confidence Score
0.231
Applicability Domain
0.235 Low confidence
Statistical Significance
0.0134
Supporting Reference Compounds
41
E-value
104.474
Carbonic anhydrase structureClick to view 3D structureCarbonic anhydraseQ5AJ71Candida albicans (strain SC5314 / ATCC MYA-2876) (Yeast)Predicted (SEA)
Prediction Confidence Score
0.231
Applicability Domain
0.235 Low confidence
Statistical Significance
0.0439
Supporting Reference Compounds
68
E-value
341.68
Carbonic anhydrase 1 structureClick to view 3D structureCarbonic anhydrase 1P00915HumansPredicted (SEA)
Prediction Confidence Score
0.231
Applicability Domain
0.235 Low confidence
Statistical Significance
0.24
Supporting Reference Compounds
407
E-value
1868.3
Click to view 3D structureCarbonic anhydraseC0IX24Stylophora pistillataPredicted (SEA)
Prediction Confidence Score
0.231
Applicability Domain
0.235 Low confidence
Statistical Significance
0.0137
Supporting Reference Compounds
41
E-value
106.731
Click to view 3D structureCarbonic anhydrase 15Q99N23Mus musculusPredicted (SEA)
Prediction Confidence Score
0.231
Applicability Domain
0.235 Low confidence
Statistical Significance
0.0496
Supporting Reference Compounds
78
E-value
386.054
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available