2-chloro-n-(2-chloroethyl)propan-1-amine (CED0309796)

Record Information
Version1.0
Creation Date2026-09-01 07:45:55 UTC
Update Date2026-09-01 07:45:55 UTC
Accession NumberCHEM355481
Identification
Common Name2-chloro-n-(2-chloroethyl)propan-1-amine
ClassSmall Molecule
Description
2-chloro-n-(2-chloroethyl)propan-1-amine is a chemical compound with the formula C5H11Cl2N. It has an average molecular weight of 156.05 g/mol.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC5H11Cl2N
Average Molecular MassNot Available
Monoisotopic Mass155.027 g/mol
CAS Registry NumberNot Available
IUPAC NameNot Available
Traditional NameNot Available
SMILESCC(CNCCCl)Cl
InChI IdentifierInChI=1S/C5H11Cl2N/c1-5(7)4-8-3-2-6/h5,8H,2-4H2,1H3
InChI KeyYSJCPBULFZDLKJ-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
32.0Log mg/kg[20:57]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
Click to view 3D structureFarnesyl synthetase, putativeQ964Q8Trypanosoma cruziPredicted (SEA)59.0876
All-trans-retinol dehydrogenase [NAD(+)] ADH7 structureClick to view 3D structureAll-trans-retinol dehydrogenase [NAD(+)] ADH7P40394HumansPredicted (SEA)58.2312
Click to view 3D structureBeta-2 adrenergic receptorQ8K4Z4Cavia porcellusPredicted (SEA)3099.49
Click to view 3D structureBeta-1 adrenergic receptorB0FL73Cavia porcellusPredicted (SEA)2374.01
Beta-3 adrenergic receptor structureClick to view 3D structureBeta-3 adrenergic receptorP13945HumansPredicted (SEA)6976.77
Click to view 3D structureBeta-2 adrenergic receptorQ28044Bos taurusPredicted (SEA)615.398
Beta-1 adrenergic receptor structureClick to view 3D structureBeta-1 adrenergic receptorP08588HumansPredicted (SEA)7354.26
Beta-2 adrenergic receptor structureClick to view 3D structureBeta-2 adrenergic receptorP07550HumansPredicted (SEA)7530.59
Click to view 3D structureTaste receptor type 2 member 50P59544HumansPredicted (SEA)247.483
Click to view 3D structureTaste receptor type 2 member 45P59539HumansPredicted (SEA)247.483
Click to view 3D structureTaste receptor type 2 member 42Q7RTR8HumansPredicted (SEA)247.483
Click to view 3D structureTaste receptor type 2 member 41P59536HumansPredicted (SEA)247.483
Click to view 3D structureTaste receptor type 2 member 7Q9NYW3HumansPredicted (SEA)247.483
Click to view 3D structureTaste receptor type 2 member 30P59541HumansPredicted (SEA)247.483
Click to view 3D structureTaste receptor type 2 member 60P59551HumansPredicted (SEA)247.483
Click to view 3D structureTaste receptor type 2 member 19P59542HumansPredicted (SEA)247.483
Click to view 3D structureTaste receptor type 2 member 20P59543HumansPredicted (SEA)247.483
Click to view 3D structureTaste receptor type 2 member 1Q9NYW7HumansPredicted (SEA)247.483
Click to view 3D structureTaste receptor type 2 member 40P59535HumansPredicted (SEA)247.483
Click to view 3D structureTaste receptor type 2 member 3Q9NYW6HumansPredicted (SEA)247.483
Click to view 3D structureTaste receptor type 2 member 13Q9NYV9HumansPredicted (SEA)247.483
Click to view 3D structureTaste receptor type 2 member 39P59534HumansPredicted (SEA)247.483
Click to view 3D structureTaste receptor type 2 member 5Q9NYW4HumansPredicted (SEA)247.483
Click to view 3D structureTaste receptor type 2 member 9Q9NYW1HumansPredicted (SEA)247.483
Click to view 3D structureTaste receptor type 2 member 43P59537HumansPredicted (SEA)247.483
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available