3,8-diazabicyclo[3.2.1]octane (CED0193739)

Record Information
Version1.0
Creation Date2026-08-23 05:51:28 UTC
Update Date2026-08-23 05:51:28 UTC
Accession NumberCHEM228136
Identification
Common Name3,8-diazabicyclo[3.2.1]octane
ClassSmall Molecule
Description
3,8-diazabicyclo[3.2.1]octane is an organic compound with the formula C6H12N2 and an average molecular weight of 112.17 g/mol. 3,8-diazabicyclo[3.2.1]octane belongs to the azepanes, a class of organoheterocyclic compounds within the organic compounds. This substance has been identified in or released from two recorded sources: electric hearing aids within electrical and electronic equipment, and stairs and ramps within building and construction.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC6H12N2
Average Molecular Mass112.170 g/mol
Monoisotopic Mass112.100 g/mol
CAS Registry Number280-06-8
IUPAC NameNot Available
Traditional NameNot Available
SMILESNot Available
InChI IdentifierInChI=1S/C6H12N2/c1-2-6-4-7-3-5(1)8-6/h5-8H,1-4H2
InChI KeyLKDJYZBKCVSODK-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
178.0Log mg/kg[100:320]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
500Stairs And RampsBuilding & ConstructionNot Available
516Electric Hearing AidsElectrical & Electronic EquipmentNot Available
Pathways
0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Click to view 3D structureSucrase-isomaltase, intestinalP23739Rattus norvegicusPredicted (SEA)167.687
Click to view 3D structureAlpha-galactosidaseQ42656Coffea arabicaPredicted (SEA)198.204
Muscarinic acetylcholine receptor M4 structureClick to view 3D structureMuscarinic acetylcholine receptor M4P08173HumansPredicted (SEA)7721.94
Sodium-dependent serotonin transporter structureClick to view 3D structureSodium-dependent serotonin transporterP31645HumansPredicted (SEA)7755.57
Click to view 3D structureD(2) dopamine receptorP61169RatPredicted (SEA)7684.34
Voltage-gated inwardly rectifying potassium channel KCNH2 structureClick to view 3D structureVoltage-gated inwardly rectifying potassium channel KCNH2Q12809HumansPredicted (SEA)7771.61
Beta-galactosidase structureClick to view 3D structureBeta-galactosidaseP16278HumansPredicted (SEA)1315.57
Click to view 3D structureAlpha-galactosidase CQ9UUZ4Aspergillus nigerPredicted (SEA)14.0129
Cytochrome P450 3A4 structureClick to view 3D structureCytochrome P450 3A4P08684HumansPredicted (SEA)7775.5
5-hydroxytryptamine receptor 2C structureClick to view 3D structure5-hydroxytryptamine receptor 2CP28335HumansPredicted (SEA)7762.03
5-hydroxytryptamine receptor 2B structureClick to view 3D structure5-hydroxytryptamine receptor 2BP41595HumansPredicted (SEA)7762.11
Sodium-dependent dopamine transporter structureClick to view 3D structureSodium-dependent dopamine transporterQ01959HumansPredicted (SEA)7757.52
Click to view 3D structureNeuronal acetylcholine receptor subunit alpha-7Q05941Rattus norvegicusPredicted (SEA)1579.17
Click to view 3D structureBeta-galactosidaseP29853Aspergillus nigerPredicted (SEA)2.49118
Click to view 3D structureFumarate hydratase, mitochondrialP10173Sus scrofaPredicted (SEA)1.40129
Neuronal acetylcholine receptor subunit alpha-7 structureClick to view 3D structureNeuronal acetylcholine receptor subunit alpha-7P36544HumansPredicted (SEA)3737.39
Click to view 3D structureLactase/phlorizin hydrolaseQ02401Rattus norvegicusPredicted (SEA)6.30579
Click to view 3D structureBeta-galactosidaseQ58D55Bos taurusPredicted (SEA)133.434
Click to view 3D structureNeuronal acetylcholine receptor subunit beta-4P12392Rattus norvegicusPredicted (SEA)127.361
Click to view 3D structureSodium- and chloride-dependent betaine transporterP48065HumansPredicted (SEA)156.01
5-hydroxytryptamine receptor 2A structureClick to view 3D structure5-hydroxytryptamine receptor 2AP28223HumansPredicted (SEA)7738.91
Click to view 3D structureSodium- and chloride-dependent GABA transporter 3P48066HumansPredicted (SEA)2400.4
Click to view 3D structure5-hydroxytryptamine receptor 7P32305Rattus norvegicusPredicted (SEA)6868.4
Click to view 3D structureNeuronal acetylcholine receptor subunit alpha-4P09483Rattus norvegicusPredicted (SEA)876.427
Neuronal acetylcholine receptor subunit alpha-4 structureClick to view 3D structureNeuronal acetylcholine receptor subunit alpha-4P43681HumansPredicted (SEA)1619.42
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available