1-(Chloromethyl)-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecane (CED0113084)

Record Information
Version1.0
Creation Date2026-04-05 03:27:50 UTC
Update Date2026-08-23 20:46:51 UTC
Accession NumberCHEM091469
Identification
Common Name1-(Chloromethyl)-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecane
ClassSmall Molecule
Description
1-(Chloromethyl)-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecane is a chemical compound with the formula C7H14ClNO3Si and an average molecular weight of 223.73 g/mol. 1-(Chloromethyl)-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecane belongs to the organosilicon compounds, a subclass of organometalloid compounds within the organic compounds. This substance has been identified as being found in or released from one recorded source: electrical and electronic equipment, specifically television systems.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC7H14ClNO3Si
Average Molecular Mass223.730 g/mol
Monoisotopic Mass223.043 g/mol
CAS Registry Number42003-39-4
IUPAC NameNot Available
Traditional NameNot Available
SMILESClC[Si]12OCCN(CCO1)CCO2
InChI IdentifierInChI=1/C7H14ClNO3Si/c8-7-13-10-4-1-9(2-5-11-13)3-6-12-13/h1-7H2
InChI KeyMETVSRFIOHSNJX-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
227.0Log mg/kg[130:400]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
537Television SystemsElectrical & Electronic EquipmentNot Available
Pathways
0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Sigma non-opioid intracellular receptor 1 structureClick to view 3D structureSigma non-opioid intracellular receptor 1Q99720HumansPredicted (SEA)7716.49
Click to view 3D structurePlasma membrane ATPase 1P05030Saccharomyces cerevisiae (strain ATCC 204508 / S288c) (Baker's yeast)Predicted (SEA)1011.65
Click to view 3D structureSigma non-opioid intracellular receptor 1Q60492Cavia porcellusPredicted (SEA)7492.44
5-hydroxytryptamine receptor 3A structureClick to view 3D structure5-hydroxytryptamine receptor 3AP46098HumansPredicted (SEA)7695.4
Click to view 3D structureSigma intracellular receptor 2Q5BJF2HumansPredicted (SEA)7729.49
Replicase polyprotein 1ab structureClick to view 3D structureReplicase polyprotein 1abP0DTD1SARS-CoV-2Predicted (SEA)7734.87
D(4) dopamine receptor structureClick to view 3D structureD(4) dopamine receptorP21917HumansPredicted (SEA)7731.83
Click to view 3D structureSigma intracellular receptor 2Q5U3Y7Rattus norvegicusPredicted (SEA)7483.8
Monoglyceride lipase structureClick to view 3D structureMonoglyceride lipaseQ99685HumansPredicted (SEA)7394.04
Click to view 3D structureNeuronal acetylcholine receptor subunit alpha-7Q05941Rattus norvegicusPredicted (SEA)7087.39
Click to view 3D structureD(2) dopamine receptorP61169RatPredicted (SEA)7727.0
Click to view 3D structureAcetyl-CoA carboxylaseQ3V4E6Zea maysPredicted (SEA)1506.69
5-hydroxytryptamine receptor 1A structureClick to view 3D structure5-hydroxytryptamine receptor 1AP08908HumansPredicted (SEA)7769.74
Alpha-2A adrenergic receptor structureClick to view 3D structureAlpha-2A adrenergic receptorP08913HumansPredicted (SEA)7773.63
D(2) dopamine receptor structureClick to view 3D structureD(2) dopamine receptorP14416HumansPredicted (SEA)7774.96
Click to view 3D structure5-hydroxytryptamine receptor 3AP23979Mus musculusPredicted (SEA)4804.62
Alpha-2B adrenergic receptor structureClick to view 3D structureAlpha-2B adrenergic receptorP18089HumansPredicted (SEA)7764.14
D(3) dopamine receptor structureClick to view 3D structureD(3) dopamine receptorP35462HumansPredicted (SEA)7771.22
Muscarinic acetylcholine receptor M1 structureClick to view 3D structureMuscarinic acetylcholine receptor M1P11229HumansPredicted (SEA)7770.52
Click to view 3D structureSigma non-opioid intracellular receptor 1Q9R0C9Rattus norvegicusPredicted (SEA)7649.15
Alpha-2C adrenergic receptor structureClick to view 3D structureAlpha-2C adrenergic receptorP18825HumansPredicted (SEA)7771.14
Cytochrome P450 2C9 structureClick to view 3D structureCytochrome P450 2C9P11712HumansPredicted (SEA)7778.15
Click to view 3D structureProtein disulfide-isomeraseP05307Bos taurusPredicted (SEA)3382.24
B-cell lymphoma 3 protein structureClick to view 3D structureB-cell lymphoma 3 proteinP20749HumansPredicted (SEA)4497.27
Muscarinic acetylcholine receptor M2 structureClick to view 3D structureMuscarinic acetylcholine receptor M2P08172HumansPredicted (SEA)7773.09
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available