Trans-4-(4-ethylcyclohexyl)benzonitrile (CED0127729)

Record Information
Version1.0
Creation Date2026-04-05 05:24:47 UTC
Update Date2026-08-19 11:11:14 UTC
Accession NumberCHEM093548
Identification
Common NameTrans-4-(4-ethylcyclohexyl)benzonitrile
ClassSmall Molecule
Description
Trans-4-(4-ethylcyclohexyl)benzonitrile is an organic compound with the formula C15H19N and an average molecular weight of 213.32 g/mol. Trans-4-(4-ethylcyclohexyl)benzonitrile belongs to the benzonitriles, a subclass of benzene and substituted derivatives within the organic compounds. Within the broader chemical hierarchy, it is classified under the superclass of benzenoids. This substance has been identified in or released from four recorded sources, all of which are related to electrical and electronic equipment. Specifically, these sources include amplifiers, auxiliary devices, microphones, and radio transmission systems.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC15H19N
Average Molecular Mass213.324 g/mol
Monoisotopic Mass213.152 g/mol
CAS Registry Number72928-54-2
IUPAC NameNot Available
Traditional NameNot Available
SMILESCC[C@H]1CC[C@@H](CC1)C1=CC=C(C=C1)C#N
InChI IdentifierInChI=1/C15H19N/c1-2-12-3-7-14(8-4-12)15-9-5-13(11-16)6-10-15/h5-6,9-10,12,14H,2-4,7-8H2,1H3
InChI KeyBBHJTCADCKZYSO-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 ValuesNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
505AmplifiersElectrical & Electronic EquipmentNot Available
507Auxiliary DevicesElectrical & Electronic EquipmentNot Available
528MicrophonesElectrical & Electronic EquipmentNot Available
530Radio Transmission SystemsElectrical & Electronic EquipmentNot Available
Pathways
0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Aromatase structureClick to view 3D structureAromataseP11511HumansPredicted (SEA)75.9808
D(2) dopamine receptor structureClick to view 3D structureD(2) dopamine receptorP14416HumansPredicted (SEA)838.747
Click to view 3D structureD(2) dopamine receptorP61169RatPredicted (SEA)523.147
Click to view 3D structureO-acyltransferaseA0A8I3N393Canis lupus familiarisPredicted (SEA)2.80257
Histamine H3 receptor structureClick to view 3D structureHistamine H3 receptorQ9Y5N1HumansPredicted (SEA)359.508
D(3) dopamine receptor structureClick to view 3D structureD(3) dopamine receptorP35462HumansPredicted (SEA)807.219
Voltage-gated inwardly rectifying potassium channel KCNH2 structureClick to view 3D structureVoltage-gated inwardly rectifying potassium channel KCNH2Q12809HumansPredicted (SEA)1920.15
Sigma non-opioid intracellular receptor 1 structureClick to view 3D structureSigma non-opioid intracellular receptor 1Q99720HumansPredicted (SEA)724.776
Click to view 3D structureSigma non-opioid intracellular receptor 1Q9R0C9Rattus norvegicusPredicted (SEA)277.143
Cytochrome P450 11B1, mitochondrial structureClick to view 3D structureCytochrome P450 11B1, mitochondrialP15538HumansPredicted (SEA)42.8171
Cytochrome P450 11B2, mitochondrial structureClick to view 3D structureCytochrome P450 11B2, mitochondrialP19099HumansPredicted (SEA)44.6076
Sodium-dependent serotonin transporter structureClick to view 3D structureSodium-dependent serotonin transporterP31645HumansPredicted (SEA)723.764
Click to view 3D structureHistamine H3 receptorQ9QYN8Rattus norvegicusPredicted (SEA)136.548
Click to view 3D structure5-hydroxytryptamine receptor 1AP19327Rattus norvegicusPredicted (SEA)867.162
Sodium-dependent dopamine transporter structureClick to view 3D structureSodium-dependent dopamine transporterQ01959HumansPredicted (SEA)765.725
Sodium-dependent noradrenaline transporter structureClick to view 3D structureSodium-dependent noradrenaline transporterP23975HumansPredicted (SEA)667.946
Glutamate receptor 2 structureClick to view 3D structureGlutamate receptor 2P42262HumansPredicted (SEA)8.64126
Click to view 3D structureCytochrome P450 11B2, mitochondrialP30099Rattus norvegicusPredicted (SEA)2.49118
Click to view 3D structureSigma non-opioid intracellular receptor 1O55242Mus musculusPredicted (SEA)35.4992
Click to view 3D structureCytochrome P450 11B1, mitochondrialP15393Rattus norvegicusPredicted (SEA)5.13805
Proto-oncogene tyrosine-protein kinase Src structureClick to view 3D structureProto-oncogene tyrosine-protein kinase SrcP12931HumansPredicted (SEA)2608.65
Histamine H1 receptor structureClick to view 3D structureHistamine H1 receptorP35367HumansPredicted (SEA)1427.75
D(4) dopamine receptor structureClick to view 3D structureD(4) dopamine receptorP21917HumansPredicted (SEA)1551.15
5-hydroxytryptamine receptor 2A structureClick to view 3D structure5-hydroxytryptamine receptor 2AP28223HumansPredicted (SEA)2317.65
Diacylglycerol O-acyltransferase 1 structureClick to view 3D structureDiacylglycerol O-acyltransferase 1O75907HumansPredicted (SEA)144.021
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available