Diallyldiethylammonium chloride (CED0000345)

Record Information
Version1.0
Creation Date2026-04-05 00:18:20 UTC
Update Date2026-04-05 00:18:20 UTC
Accession NumberCHEM086345
Identification
Common NameDiallyldiethylammonium chloride
ClassSmall Molecule
Description
Diallyldiethylammonium chloride belongs to the quaternary ammonium salts, a subclass of organonitrogen compounds within the organic compounds. It has the formula C10H20N and an average molecular weight of 189.73 g/mol. It is classified as an organonitrogen compound and an organic nitrogen compound.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC10H20N
Average Molecular Mass189.730 g/mol
Monoisotopic Mass154.160 g/mol
CAS Registry Number13107-00-1
IUPAC NameNot Available
Traditional NameNot Available
SMILES[Cl-].CC[N+](CC)(CC=C)CC=C
InChI IdentifierInChI=1/C10H20N.ClH/c1-5-9-11(7-3,8-4)10-6-2;/h5-6H,1-2,7-10H2,3-4H3;1H/q+1;/p-1
InChI KeyIOMDIVZAGXCCAC-UHFFFAOYSA-M
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
3939.0Log mg/kg[2200:7000]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
581Paper Making MachinesIndustrial manufacturing & chemical processingNot Available
657Surface Finishing Of LeatherTextiles, leather & furnishingsNot Available
Pathways
0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Click to view 3D structurePhospholipase BQ9P8P2Cryptococcus neoformansPredicted (SEA)2.95827
Click to view 3D structureMitochondrial 2-oxodicarboxylate carrierQ9BQT8HumansPredicted (SEA)0.0778492
Click to view 3D structureSeed linoleate 9S-lipoxygenaseP24095Glycine maxPredicted (SEA)2.88042
Click to view 3D structureNeuronal acetylcholine receptor subunit alpha-7P22770Gallus gallusPredicted (SEA)85.5563
Transient receptor potential cation channel subfamily A member 1 structureClick to view 3D structureTransient receptor potential cation channel subfamily A member 1O75762HumansPredicted (SEA)1706.38
Click to view 3D structureSolute carrier family 22 member 2O70577Mus musculusPredicted (SEA)0.0778492
Click to view 3D structureSolute carrier family 22 member 1O08966Mus musculusPredicted (SEA)1.08989
Click to view 3D structureSolute carrier family 22 member 2Q9R0W2Rattus norvegicusPredicted (SEA)127.439
Acetylcholinesterase structureClick to view 3D structureAcetylcholinesteraseP22303HumansPredicted (SEA)7695.94
Click to view 3D structureSolute carrier family 22 member 1Q63089Rattus norvegicusPredicted (SEA)2000.96
Click to view 3D structureCarbamate kinaseO97438Giardia intestinalisPredicted (SEA)9.26406
Click to view 3D structureFatty acid synthaseP12276Gallus gallusPredicted (SEA)7.70707
Kappa-type opioid receptor structureClick to view 3D structureKappa-type opioid receptorP41145HumansPredicted (SEA)7764.84
DNA dC->dU-editing enzyme APOBEC-3G structureClick to view 3D structureDNA dC->dU-editing enzyme APOBEC-3GQ9HC16HumansPredicted (SEA)7151.77
All-trans-retinol dehydrogenase [NAD(+)] ADH7 structureClick to view 3D structureAll-trans-retinol dehydrogenase [NAD(+)] ADH7P40394HumansPredicted (SEA)137.17
DNA dC->dU-editing enzyme APOBEC-3A structureClick to view 3D structureDNA dC->dU-editing enzyme APOBEC-3AP31941HumansPredicted (SEA)6408.39
Cannabinoid receptor 2 structureClick to view 3D structureCannabinoid receptor 2P34972HumansPredicted (SEA)7730.9
Click to view 3D structureAcetylcholinesteraseP23795Bos taurusPredicted (SEA)7129.82
5-hydroxytryptamine receptor 1A structureClick to view 3D structure5-hydroxytryptamine receptor 1AP08908HumansPredicted (SEA)7770.91
Click to view 3D structureSphingosine-1-phosphate lyase 1Q8CHN6Rattus norvegicusPredicted (SEA)150.483
Peroxisome proliferator-activated receptor gamma structureClick to view 3D structurePeroxisome proliferator-activated receptor gammaP37231HumansPredicted (SEA)7724.28
Alpha-2B adrenergic receptor structureClick to view 3D structureAlpha-2B adrenergic receptorP18089HumansPredicted (SEA)7768.11
Click to view 3D structureMu-type opioid receptorP33535Rattus norvegicusPredicted (SEA)7620.89
Alpha-2A adrenergic receptor structureClick to view 3D structureAlpha-2A adrenergic receptorP08913HumansPredicted (SEA)7776.12
Gasdermin-D structureClick to view 3D structureGasdermin-DP57764HumansPredicted (SEA)20.4743
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available