2-methylidenebutanenitrile (CED0170885)

Record Information
Version1.0
Creation Date2026-08-23 00:59:57 UTC
Update Date2026-08-23 00:59:57 UTC
Accession NumberCHEM224711
Identification
Common Name2-methylidenebutanenitrile
ClassSmall Molecule
Description
2-methylidenebutanenitrile is an organic nitrogen compound with the formula C5H7N and an average molecular weight of 81.12 g/mol. 2-methylidenebutanenitrile belongs to the organic cyanides, a subclass of organonitrogen compounds within the organic compounds. This compound is found in or released from four recorded sources associated with electrical and electronic equipment. These sources include antennas, communication cables or conductors, selectors, and gas filled discharge tubes with solid cathode.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC5H7N
Average Molecular Mass81.120 g/mol
Monoisotopic Mass81.058 g/mol
CAS Registry Number1647-11-6
IUPAC NameNot Available
Traditional NameNot Available
SMILESNot Available
InChI IdentifierInChI=1S/C5H7N/c1-3-5(2)4-6/h2-3H2,1H3
InChI KeyTVONJMOVBKMLOM-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
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
280.0Log mg/kg[160:500]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
506AntennasElectrical & Electronic EquipmentNot Available
510Communication Cables Or ConductorsElectrical & Electronic EquipmentNot Available
523Gas Filled Discharge Tubes With Solid CathodeElectrical & Electronic EquipmentNot Available
532SelectorsElectrical & Electronic EquipmentNot Available
630ToysRecreation & sports surfacesNot Available
643HeadwearTextiles, leather & furnishingsNot Available
658Touch FastenersTextiles, leather & furnishingsNot Available
Pathways
0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Palmitoyltransferase ZDHHC20 structureClick to view 3D structurePalmitoyltransferase ZDHHC20Q5W0Z9HumansPredicted (SEA)57.9198
Mu-type opioid receptor structureClick to view 3D structureMu-type opioid receptorP35372HumansPredicted (SEA)7667.92
Epidermal growth factor receptor structureClick to view 3D structureEpidermal growth factor receptorP00533HumansPredicted (SEA)7714.23
Carbonic anhydrase 1 structureClick to view 3D structureCarbonic anhydrase 1P00915HumansPredicted (SEA)7405.8
Gasdermin-D structureClick to view 3D structureGasdermin-DP57764HumansPredicted (SEA)5.52729
Click to view 3D structureGasdermin-DQ9D8T2Mus musculusPredicted (SEA)5.52729
Click to view 3D structureCarbamate kinaseO97438Giardia intestinalisPredicted (SEA)7.00643
Dual specificity tyrosine-phosphorylation-regulated kinase 1A structureClick to view 3D structureDual specificity tyrosine-phosphorylation-regulated kinase 1AQ13627HumansPredicted (SEA)7683.56
Click to view 3D structureBeta LactamaseQ932Y6Pseudomonas aeruginosaPredicted (SEA)6847.38
Serine/threonine-protein kinase PLK3 structureClick to view 3D structureSerine/threonine-protein kinase PLK3Q9H4B4HumansPredicted (SEA)7662.0
G-protein coupled receptor 35 structureClick to view 3D structureG-protein coupled receptor 35Q9HC97HumansPredicted (SEA)7452.35
Vascular endothelial growth factor receptor 2 structureClick to view 3D structureVascular endothelial growth factor receptor 2P35968HumansPredicted (SEA)7746.23
Kappa-type opioid receptor structureClick to view 3D structureKappa-type opioid receptorP41145HumansPredicted (SEA)7750.36
Serine/threonine-protein kinase Nek2 structureClick to view 3D structureSerine/threonine-protein kinase Nek2P51955HumansPredicted (SEA)7690.8
Click to view 3D structure3',5'-cyclic-AMP phosphodiesterase 4DP14270Rattus norvegicusPredicted (SEA)117.474
Vascular endothelial growth factor receptor 3 structureClick to view 3D structureVascular endothelial growth factor receptor 3P35916HumansPredicted (SEA)7711.67
Serine/threonine-protein kinase PLK1 structureClick to view 3D structureSerine/threonine-protein kinase PLK1P53350HumansPredicted (SEA)7718.91
Ribosomal protein S6 kinase beta-1 structureClick to view 3D structureRibosomal protein S6 kinase beta-1P23443HumansPredicted (SEA)7703.57
MAP/microtubule affinity-regulating kinase 3 structureClick to view 3D structureMAP/microtubule affinity-regulating kinase 3P27448HumansPredicted (SEA)7696.56
Click to view 3D structureSerine/threonine-protein kinase Sgk2Q9HBY8HumansPredicted (SEA)7666.59
Serine/threonine-protein kinase MARK2 structureClick to view 3D structureSerine/threonine-protein kinase MARK2Q7KZI7HumansPredicted (SEA)7682.78
Cathepsin B structureClick to view 3D structureCathepsin BP07858HumansPredicted (SEA)7531.68
Click to view 3D structureBeta-lactamaseQ5J463Salmonella choleraesuis (strain SC-B67)Predicted (SEA)2285.5
Beta-lactamase structureClick to view 3D structureBeta-lactamaseQ79MP6Pseudomonas aeruginosaPredicted (SEA)1878.81
Click to view 3D structureProtein RecAP9WHJ3Mycobacterium tuberculosisPredicted (SEA)7596.84
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available