5-Methoxy-2,3-dihydro-1H-inden-2-amine (CED0178222)

Record Information
Version1.0
Creation Date2026-04-03 04:46:50 UTC
Update Date2026-05-21 16:37:06 UTC
SynCED IDCED0178222
Secondary Accession Numbers
  • CHEM061398
Identification
Common Name5-Methoxy-2,3-dihydro-1H-inden-2-amine
ClassSmall Molecule
Description
5-Methoxy-2,3-dihydro-1H-inden-2-amine is an organic compound with the chemical formula C10H13N1O1 and an average molecular weight of 163.22 g/mol. 5-Methoxy-2,3-dihydro-1H-inden-2-amine belongs to the indanes, a class of benzenoids within the organic compounds. This substance has been found in or released from five recorded sources. These sources include building and construction materials, specifically floors, as well as food, food processing and cookware, specifically the preparation of vinegar. Additionally, it is associated with electrical and electronic equipment, including communication cables or conductors, antennas, and auxiliary devices.
Contaminant TypeNot Available
Chemical Structure
SynonymsNot Available
Chemical FormulaC10H13N1O1
Average Molecular Mass163.220 g/mol
Monoisotopic Mass163.100 g/mol
CAS Registry Number73305-09-6
IUPAC NameNot Available
Traditional NameNot Available
SMILESCOC1=CC2=C(CC(N)C2)C=C1
InChI IdentifierInChI=1S/C10H13NO/c1-12-10-3-2-7-4-9(11)5-8(7)6-10/h2-3,6,9H,4-5,11H2,1H3
InChI KeyHLXHCNWEVQNNKA-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 Spectrumsplash10-01vk-0900000000-785fdda2d843605353a3Not AvailableView Spectrum
Predicted GC-MSPredicted GC-MS SpectrumNot AvailableNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-03dj-0900000000-2affedc5eb896660e70aNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-01ot-0900000000-f35553c3ee008171f6ffNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0f6x-8900000000-0c8452be50d27c4e84f8Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-03di-0900000000-afddc65afa15e24ec8f6Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-03di-0900000000-a38df42b8ef05665a902Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-03fr-1900000000-f00363102bdbc857d07cNot AvailableView Spectrum
Toxicity Profile
Toxicity Values
Toxicity ValueOrganismDose DescriptorRoute of ExposurePredicted or ExperimentalToxicity RatingReference
881.0 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
CEDs000497Floors?Floors in built environments can be a significant source of synthetic chemical contamination due to the materials and finishes used in their construction.Building & ConstructionPubChem
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
CEDs000507Auxiliary Devices?Auxiliary devices, such as capacitors, transformers, and circuit breakers, are integral components in various electronic systems.Electrical & Electronic EquipmentPubChem
CEDs000510Communication Cables Or Conductors?Communication cables or conductors are essential components in the transmission of data and signals in various applications, including telecommunications and networking.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
CEDs000530Radio Transmission Systems?Radio transmission systems utilize a variety of synthetic chemicals in their manufacturing and maintenance processes.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
CEDs000548Preparation Of Vinegar?Vinegar is produced through the fermentation of ethanol by acetic acid bacteria, resulting in a solution that typically contains 4-8% acetic acid.Food, food processing & cookwarePubChem
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
CEDs000610Aftersun Products?Aftersun products are designed to soothe and hydrate the skin after sun exposure, often containing various synthetic chemicals such as emollients, preservatives, and fragrances.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
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
CEDs000617Lip Care Products?Lip care products, including lipsticks, balms, and glosses, often contain a variety of synthetic chemicals such as parabens, phthalates, and synthetic fragrances.Personal care & cosmeticsPubChem
CEDs000655Slide Fasteners?Slide fasteners, commonly known as zippers, are mechanical devices used to join two edges of fabric or other materials.Textiles, leather & furnishingsPubChem
CEDs000671Airplanes And Helicopters?Airplanes and helicopters are significant sources of synthetic chemical contamination primarily through the use of aviation fuels, lubricants, and de-icing agents.Aviation & AerospacePubChem
CEDs000673Unmanned Aerial Vehicles?Unmanned Aerial Vehicles (UAVs), commonly known as drones, utilize various synthetic chemicals in their manufacturing, operation, and maintenance processes.Aviation & AerospacePubChem
CEDs000679Phosphatic Fertilisers?Phosphatic fertilizers are synthetic chemical products primarily composed of phosphorus, which is essential for plant growth.Agriculture & land managementPubChem
CEDs000686Clay Wares?Clay wares are ceramic products made from natural clay, often utilized in various construction applications such as tiles, bricks, and sanitary ware.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
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
CEDs000744Water, Wastewater, & Sewage Treatment?Water, wastewater, and sewage treatment processes are critical for managing and mitigating pollutants in water systems.Wastewater, sanitation & biosolidsPubChem
Pathways
0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Aromatase structureClick to view 3D structureAromataseP11511HumansPredicted (SEA)
Prediction Confidence Score
0.326
Applicability Domain
0.356
Statistical Significance
0.0055
Supporting Reference Compounds
127
E-value
42.5835
5-hydroxytryptamine receptor 2C structureClick to view 3D structure5-hydroxytryptamine receptor 2CP08909RatPredicted (SEA)
Prediction Confidence Score
0.324
Applicability Domain
0.362
Statistical Significance
0.0157
Supporting Reference Compounds
185
E-value
122.068
Cytochrome P450 1A2 structureClick to view 3D structureCytochrome P450 1A2P05177HumansPredicted (SEA)
Prediction Confidence Score
0.317
Applicability Domain
0.343
Statistical Significance
0.0461
Supporting Reference Compounds
793
E-value
358.729
Carbonic anhydrase 1 structureClick to view 3D structureCarbonic anhydrase 1P00915HumansPredicted (SEA)
Prediction Confidence Score
0.317
Applicability Domain
0.34
Statistical Significance
0.0266
Supporting Reference Compounds
407
E-value
207.079
Click to view 3D structure5-hydroxytryptamine receptor 2BP30994Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.315
Applicability Domain
0.353
Statistical Significance
0.0024
Supporting Reference Compounds
40
E-value
18.6838
Carbonic anhydrase 2 structureClick to view 3D structureCarbonic anhydrase 2P00918HumansPredicted (SEA)
Prediction Confidence Score
0.314
Applicability Domain
0.34
Statistical Significance
0.0334
Supporting Reference Compounds
472
E-value
260.172
Click to view 3D structureAryl hydrocarbon receptorO02747Oryctolagus cuniculusPredicted (SEA)
Prediction Confidence Score
0.312
Applicability Domain
0.343
Statistical Significance
7.30e-04
Supporting Reference Compounds
7
E-value
5.68299
5-hydroxytryptamine receptor 2C structureClick to view 3D structure5-hydroxytryptamine receptor 2CP28335HumansPredicted (SEA)
Prediction Confidence Score
0.309
Applicability Domain
0.362
Statistical Significance
0.0546
Supporting Reference Compounds
823
E-value
425.29
Click to view 3D structureSigma non-opioid intracellular receptor 1Q60492Cavia porcellusPredicted (SEA)
Prediction Confidence Score
0.306
Applicability Domain
0.34
Statistical Significance
0.0319
Supporting Reference Compounds
229
E-value
248.573
Carbonic anhydrase 14 structureClick to view 3D structureCarbonic anhydrase 14Q9ULX7HumansPredicted (SEA)
Prediction Confidence Score
0.306
Applicability Domain
0.34
Statistical Significance
0.014
Supporting Reference Compounds
172
E-value
108.755
Ribosyldihydronicotinamide dehydrogenase [quinone] structureClick to view 3D structureRibosyldihydronicotinamide dehydrogenase [quinone]P16083HumansPredicted (SEA)
Prediction Confidence Score
0.305
Applicability Domain
0.362
Statistical Significance
0.0046
Supporting Reference Compounds
61
E-value
35.8885
Cytochrome P450 1B1 structureClick to view 3D structureCytochrome P450 1B1Q16678HumansPredicted (SEA)
Prediction Confidence Score
0.305
Applicability Domain
0.343
Statistical Significance
0.0071
Supporting Reference Compounds
88
E-value
54.9616
Cytochrome P450 1A1 structureClick to view 3D structureCytochrome P450 1A1P04798HumansPredicted (SEA)
Prediction Confidence Score
0.305
Applicability Domain
0.343
Statistical Significance
0.0056
Supporting Reference Compounds
77
E-value
43.6734
Acetylcholinesterase structureClick to view 3D structureAcetylcholinesteraseP22303HumansPredicted (SEA)
Prediction Confidence Score
0.303
Applicability Domain
0.327
Statistical Significance
0.0375
Supporting Reference Compounds
406
E-value
292.246
Click to view 3D structureTransient receptor potential cation channel subfamily A member 1Q6RI86Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.301
Applicability Domain
0.343
Statistical Significance
0.002
Supporting Reference Compounds
56
E-value
15.6477
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
0.301
Applicability Domain
0.343
Statistical Significance
0.0089
Supporting Reference Compounds
104
E-value
69.3637
Carbonic anhydrase 9 structureClick to view 3D structureCarbonic anhydrase 9Q16790HumansPredicted (SEA)
Prediction Confidence Score
0.301
Applicability Domain
0.34
Statistical Significance
0.0345
Supporting Reference Compounds
372
E-value
268.502
5-hydroxytryptamine receptor 2A structureClick to view 3D structure5-hydroxytryptamine receptor 2AP28223HumansPredicted (SEA)
Prediction Confidence Score
0.298
Applicability Domain
0.362
Statistical Significance
0.0845
Supporting Reference Compounds
955
E-value
657.826
Cytochrome P450 11B2, mitochondrial structureClick to view 3D structureCytochrome P450 11B2, mitochondrialP19099HumansPredicted (SEA)
Prediction Confidence Score
0.297
Applicability Domain
0.333
Statistical Significance
0.0037
Supporting Reference Compounds
62
E-value
28.9599
Estrogen receptor structureClick to view 3D structureEstrogen receptorP03372HumansPredicted (SEA)
Prediction Confidence Score
0.297
Applicability Domain
0.343
Statistical Significance
0.0142
Supporting Reference Compounds
201
E-value
110.234
Polyunsaturated fatty acid 5-lipoxygenase structureClick to view 3D structurePolyunsaturated fatty acid 5-lipoxygenaseP09917HumansPredicted (SEA)
Prediction Confidence Score
0.296
Applicability Domain
0.362
Statistical Significance
0.0135
Supporting Reference Compounds
182
E-value
105.096
Sigma non-opioid intracellular receptor 1 structureClick to view 3D structureSigma non-opioid intracellular receptor 1Q99720HumansPredicted (SEA)
Prediction Confidence Score
0.296
Applicability Domain
0.34
Statistical Significance
0.0679
Supporting Reference Compounds
562
E-value
528.908
D(4) dopamine receptor structureClick to view 3D structureD(4) dopamine receptorP21917HumansPredicted (SEA)
Prediction Confidence Score
0.295
Applicability Domain
0.364
Statistical Significance
0.0631
Supporting Reference Compounds
524
E-value
491.462
Click to view 3D structureMelatonin receptor type 1BP51050Gallus gallusPredicted (SEA)
Prediction Confidence Score
0.295
Applicability Domain
0.34
Statistical Significance
9.80e-04
Supporting Reference Compounds
3
E-value
7.62922
5-hydroxytryptamine receptor 2A structureClick to view 3D structure5-hydroxytryptamine receptor 2AP14842Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.295
Applicability Domain
0.342
Statistical Significance
0.0444
Supporting Reference Compounds
380
E-value
345.339
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available