Aminoacetonitrile (CED0011736)

Record Information
Version1.0
Creation Date2026-04-04 04:19:14 UTC
Update Date2026-08-22 09:42:45 UTC
Accession NumberCHEM071401
Identification
Common NameAminoacetonitrile
ClassSmall Molecule
Description
Aminoacetonitrile is an organic compound with the chemical formula C2H4N2 and an average molecular weight of 56.07 g/mol. Aminoacetonitrile belongs to the organic cyanides, a subclass of organonitrogen compounds within the organic compounds. This substance is found in or released from 12 recorded sources. Within the category of electrical and electronic equipment, it is associated with conductors or conductive bodies characterised by the conductive materials, electrodes, fixed capacitors and their manufacture, hybrid capacitors, and radio transmission systems, among one other source. In the context of household cleaning and consumer products, it is identified in soap detergents, bleaching agents, perfumes within detergents and soaps, and tobacco smoke filters. Additionally, it is linked to food, food processing and cookware, specifically occurring in food preservation and fermentation processes for beer.
Contaminant TypeNot Available
Chemical Structure
SynonymsNot Available
Chemical FormulaC2H4N2
Average Molecular Mass56.068 g/mol
Monoisotopic Mass56.037 g/mol
CAS Registry Number540-61-4
IUPAC NameNot Available
Traditional NameNot Available
SMILESNCC#N
InChI IdentifierInChI=1S/C2H4N2/c3-1-2-4/h1,3H2
InChI KeyDFNYGALUNNFWKJ-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 Spectrumsplash10-0a4i-9000000000-55fe3aea5bc45ec42156Not AvailableView Spectrum
Predicted GC-MSPredicted GC-MS SpectrumNot AvailableNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0006-9000000000-042ab9174696882de89dNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0006-9000000000-042ab9174696882de89dNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0006-9000000000-042ab9174696882de89dNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0a4i-9000000000-112f487e1db1c116bb29Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0a4i-9000000000-112f487e1db1c116bb29Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0a4i-9000000000-112f487e1db1c116bb29Not AvailableView Spectrum
1D NMR1H NMR Spectrum (1D, D2O, predicted)Not AvailableNot AvailableView Spectrum
1D NMR13C NMR Spectrum (1D, D2O, predicted)Not AvailableNot AvailableView Spectrum
Toxicity Profile
Mechanism of ToxicityNot Available
Carcinogenicity (IARC Classification)Not Available
Minimum Risk LevelNot Available
SymptomsNot Available
TreatmentNot Available
Toxicity Values
Toxicity ValueUnitValue RangeOrganismDose DescriptorRoute of ExposurePredicted or ExperimentalReference
19.0Log mg/kg[10:34]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
10InsecticidesAgriculture & land managementNot Available
511Conductors Or Conductive Bodies Characterised By The Conductive MaterialsElectrical & Electronic EquipmentNot Available
519ElectrodesElectrical & Electronic EquipmentNot Available
521Fixed Capacitors And Their ManufactureElectrical & Electronic EquipmentNot Available
524Hybrid CapacitorsElectrical & Electronic EquipmentNot Available
530Radio Transmission SystemsElectrical & Electronic EquipmentNot Available
537Television SystemsElectrical & Electronic EquipmentNot Available
544Fermentation Processes For BeerFood, food processing & cookwareNot Available
545Food PreservationFood, food processing & cookwareNot Available
555Bleaching AgentsHousehold cleaning & consumer productsNot Available
561Perfumes Within Detergents And SoapsHousehold cleaning & consumer productsNot Available
563Soap DetergentsHousehold cleaning & consumer productsNot Available
569Tobacco Smoke FiltersHousehold cleaning & consumer productsNot Available
596AcaricidesAgriculture & land managementNot Available
600Herbicides And AlgicidesAgriculture & land managementNot Available
602MolluscicidesAgriculture & land managementNot Available
603NematocidesAgriculture & land managementNot Available
605Pest RepellantsAgriculture & land managementNot Available
606Plant Growth RegulatorsAgriculture & land managementNot Available
609AftershavePersonal care & cosmeticsNot Available
611Anti Perspirants Or Body DeoderantsPersonal care & cosmeticsNot Available
618Lip Makeup ProductsPersonal care & cosmeticsNot Available
634BucklesTextiles, leather & furnishingsNot Available
642FootwearTextiles, leather & furnishingsNot Available
657Surface Finishing Of LeatherTextiles, leather & furnishingsNot Available
Pathways
0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Click to view 3D structureLysyl oxidase homolog 2B5DF27Rattus norvegicusPredicted (SEA)3.42537
Amine oxidase [flavin-containing] B structureClick to view 3D structureAmine oxidase [flavin-containing] BP27338HumansPredicted (SEA)5959.2
Amine oxidase [copper-containing] 3 structureClick to view 3D structureAmine oxidase [copper-containing] 3Q16853HumansPredicted (SEA)1456.95
Lysyl oxidase homolog 2 structureClick to view 3D structureLysyl oxidase homolog 2Q9Y4K0HumansPredicted (SEA)1618.1
Click to view 3D structureProtein-lysine 6-oxidaseP28300HumansPredicted (SEA)737.154
Click to view 3D structureLysyl oxidase homolog 3P58215HumansPredicted (SEA)918.854
Click to view 3D structureSpermine synthaseQ3SZA5Bos taurusPredicted (SEA)2.64687
Click to view 3D structureMitochondrial 2-oxodicarboxylate carrierQ8BZ09Mus musculusPredicted (SEA)2.64687
Click to view 3D structureLysyl oxidase homolog 2P58022Mus musculusPredicted (SEA)29.5049
Click to view 3D structureCarbonic anhydrase 13Q9D6N1Mus musculusPredicted (SEA)4511.6
Carbonic anhydrase 7 structureClick to view 3D structureCarbonic anhydrase 7P43166HumansPredicted (SEA)6932.47
Carbonic anhydrase 4 structureClick to view 3D structureCarbonic anhydrase 4P22748HumansPredicted (SEA)6764.16
Cytochrome P450 2A6 structureClick to view 3D structureCytochrome P450 2A6P11509HumansPredicted (SEA)4471.27
Click to view 3D structureCarbonic anhydrase 5B, mitochondrialQ9Y2D0HumansPredicted (SEA)6252.54
Click to view 3D structureHistamine oxidaseQ59118Arthrobacter globiformisPredicted (SEA)85.167
Click to view 3D structureCarbonic anhydrase 5A, mitochondrialP35218HumansPredicted (SEA)6776.31
Cytochrome P450 2D6 structureClick to view 3D structureCytochrome P450 2D6P10635HumansPredicted (SEA)7755.03
Click to view 3D structureOrnithine decarboxylaseP09057Rattus norvegicusPredicted (SEA)0.544945
Carbonic anhydrase 6 structureClick to view 3D structureCarbonic anhydrase 6P23280HumansPredicted (SEA)6803.17
Carbonic anhydrase 14 structureClick to view 3D structureCarbonic anhydrase 14Q9ULX7HumansPredicted (SEA)6834.77
Carbonic anhydrase 1 structureClick to view 3D structureCarbonic anhydrase 1P00915HumansPredicted (SEA)7529.65
Carbonic anhydrase 9 structureClick to view 3D structureCarbonic anhydrase 9Q16790HumansPredicted (SEA)7556.59
Cytochrome P450 1A2 structureClick to view 3D structureCytochrome P450 1A2P05177HumansPredicted (SEA)7750.9
Cytochrome P450 2C19 structureClick to view 3D structureCytochrome P450 2C19P33261HumansPredicted (SEA)7759.08
Click to view 3D structureSodium- and chloride-dependent GABA transporter 2P31646Rattus norvegicusPredicted (SEA)109.767
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available