1-chloro-n,n-diethylpropan-2-amine (CED0312098)

Record Information
Version1.0
Creation Date2026-09-01 11:03:54 UTC
Update Date2026-09-01 11:03:54 UTC
Accession NumberCHEM357893
Identification
Common Name1-chloro-n,n-diethylpropan-2-amine
ClassSmall Molecule
Description
1-chloro-n,n-diethylpropan-2-amine is a chemical compound with the formula C7H16ClN. It has an average molecular weight of 149.66 g/mol.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC7H16ClN
Average Molecular MassNot Available
Monoisotopic Mass149.097 g/mol
CAS Registry Number52377-23-8
IUPAC NameNot Available
Traditional NameNot Available
SMILESCCN(CC)C(C)CCl
InChI IdentifierInChI=1S/C7H16ClN/c1-4-9(5-2)7(3)6-8/h7H,4-6H2,1-3H3
InChI KeyKACSTQZHMHDNKL-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
36.0Log mg/kg[20:64]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
Pathways
0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Gasdermin-D structureClick to view 3D structureGasdermin-DP57764HumansPredicted (SEA)1.47914
Gasdermin-D structureClick to view 3D structureGasdermin-DQ9D8T2Mus musculusPredicted (SEA)1.47914
Click to view 3D structureCarbamate kinaseO97438Giardia intestinalisPredicted (SEA)1.47914
Click to view 3D structureCholinesteraseP81908Equus caballusPredicted (SEA)5663.84
Voltage-gated inwardly rectifying potassium channel KCNH2 structureClick to view 3D structureVoltage-gated inwardly rectifying potassium channel KCNH2Q12809HumansPredicted (SEA)7683.25
Acetylcholinesterase structureClick to view 3D structureAcetylcholinesteraseP22303HumansPredicted (SEA)7185.41
Click to view 3D structureButyrylcholinesteraseQ9N1N9Equus caballusPredicted (SEA)2907.51
Cholinesterase structureClick to view 3D structureCholinesteraseP06276HumansPredicted (SEA)7033.21
Click to view 3D structure3-ketoacyl-CoA synthase 20Q9FG87Arabidopsis thalianaPredicted (SEA)4.51525
Click to view 3D structureSodium/hydrogen exchanger 1P23791Oryctolagus cuniculusPredicted (SEA)146.668
Click to view 3D structureSodium/hydrogen exchangerQ9W6Q1Amphiuma tridactylumPredicted (SEA)146.668
Alpha-2A adrenergic receptor structureClick to view 3D structureAlpha-2A adrenergic receptorP08913HumansPredicted (SEA)7636.31
D(3) dopamine receptor structureClick to view 3D structureD(3) dopamine receptorP35462HumansPredicted (SEA)7683.02
Alpha-2B adrenergic receptor structureClick to view 3D structureAlpha-2B adrenergic receptorP18089HumansPredicted (SEA)7601.67
Click to view 3D structurePhospholipase BQ9P8P2Cryptococcus neoformansPredicted (SEA)41.1822
Sodium-dependent dopamine transporter structureClick to view 3D structureSodium-dependent dopamine transporterQ01959HumansPredicted (SEA)7688.7
Amine oxidase [flavin-containing] A structureClick to view 3D structureAmine oxidase [flavin-containing] AP21396Rattus norvegicusPredicted (SEA)6352.34
Sodium-dependent serotonin transporter structureClick to view 3D structureSodium-dependent serotonin transporterP31645HumansPredicted (SEA)7725.37
Click to view 3D structureSodium-dependent serotonin transporterP31652Rattus norvegicusPredicted (SEA)7468.7
Sodium-dependent noradrenaline transporter structureClick to view 3D structureSodium-dependent noradrenaline transporterP23975HumansPredicted (SEA)7718.75
5-hydroxytryptamine receptor 6 structureClick to view 3D structure5-hydroxytryptamine receptor 6P50406HumansPredicted (SEA)7703.96
Muscarinic acetylcholine receptor M2 structureClick to view 3D structureMuscarinic acetylcholine receptor M2P08172HumansPredicted (SEA)7725.6
Click to view 3D structureLeucine aminopeptidaseQ29571Sus scrofaPredicted (SEA)17.2825
Muscarinic acetylcholine receptor M3 structureClick to view 3D structureMuscarinic acetylcholine receptor M3P20309HumansPredicted (SEA)7714.55
Muscarinic acetylcholine receptor M4 structureClick to view 3D structureMuscarinic acetylcholine receptor M4P08173HumansPredicted (SEA)7703.73
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available