Dimethyl hexanediimidate (CED0000497)

Record Information
Version1.0
Creation Date2026-08-24 16:54:05 UTC
Update Date2026-08-24 16:54:05 UTC
Accession NumberCHEM252145
Identification
Common NameDimethyl hexanediimidate
ClassSmall Molecule
Description
Dimethyl hexanediimidate is an organic compound with the formula C8H16N2O2 and an average molecular weight of 172.22 g/mol. Dimethyl hexanediimidate belongs to the imidoesters, a subclass of carboximidic acids and derivatives within the organic compounds. This substance has been identified in or released from three recorded sources. These sources include household cleaning and consumer products, specifically bleaching agents, as well as electrical and electronic equipment, including thin magnetic films and radio transmission systems.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC8H16N2O2
Average Molecular Mass172.220 g/mol
Monoisotopic Mass172.121 g/mol
CAS Registry Number13139-70-3
IUPAC NameNot Available
Traditional NameNot Available
SMILESNot Available
InChI IdentifierInChI=1S/C8H16N2O2/c1-11-7(9)5-3-4-6-8(10)12-2/h9-10H,3-6H2,1-2H3
InChI KeyZLFRJHOBQVVTOJ-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
1705.0Log mg/kg[960:3000]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
530Radio Transmission SystemsElectrical & Electronic EquipmentNot Available
538Thin Magnetic FilmsElectrical & Electronic EquipmentNot Available
555Bleaching AgentsHousehold cleaning & consumer productsNot Available
Pathways
0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Click to view 3D structureCytochrome P450 2C23P24470Rattus norvegicusPredicted (SEA)1.86838
Click to view 3D structureTransient receptor potential cation channel subfamily V member 2Q9WUD2Rattus norvegicusPredicted (SEA)83.2987
Tyrosine-protein phosphatase non-receptor type 1 structureClick to view 3D structureTyrosine-protein phosphatase non-receptor type 1P18031HumansPredicted (SEA)1565.78
Peroxisome proliferator-activated receptor alpha structureClick to view 3D structurePeroxisome proliferator-activated receptor alphaQ07869HumansPredicted (SEA)2091.57
Click to view 3D structureHistone deacetylase 11Q96DB2HumansPredicted (SEA)2556.33
Click to view 3D structureDeoxyhypusine synthaseQ9GSW0Plasmodium falciparumPredicted (SEA)20.3965
Protein deacetylase HDAC6 structureClick to view 3D structureProtein deacetylase HDAC6Q9UBN7HumansPredicted (SEA)5480.9
Click to view 3D structureHistone deacetylase 6Q99P97Rattus norvegicusPredicted (SEA)573.749
Peroxisome proliferator-activated receptor delta structureClick to view 3D structurePeroxisome proliferator-activated receptor deltaQ03181HumansPredicted (SEA)2254.98
Histone deacetylase 1 structureClick to view 3D structureHistone deacetylase 1Q13547HumansPredicted (SEA)5354.24
Click to view 3D structurePolyamine oxidase 1O64411Zea maysPredicted (SEA)9.9647
Click to view 3D structurePutative agmatine deiminaseQ8DW17Streptococcus mutans serotype c (strain ATCC 700610 / UA159)Predicted (SEA)7.23998
Nitric oxide synthase, inducible structureClick to view 3D structureNitric oxide synthase, inducibleP35228HumansPredicted (SEA)403.882
Histone deacetylase 2 structureClick to view 3D structureHistone deacetylase 2Q92769HumansPredicted (SEA)5190.52
Histone deacetylase 3 structureClick to view 3D structureHistone deacetylase 3O15379HumansPredicted (SEA)4909.56
Click to view 3D structureNitric oxide synthase, inducibleP29477Mus musculusPredicted (SEA)619.368
Histone deacetylase 8 structureClick to view 3D structureHistone deacetylase 8Q9BY41HumansPredicted (SEA)5434.5
Click to view 3D structureHistone deacetylase HD2Q94F81Zea maysPredicted (SEA)589.396
Click to view 3D structureCAI-1 autoinducer sensor kinase/phosphatase CqsSQ9KM66Vibrio cholerae serotype O1 (strain ATCC 39315 / El Tor Inaba N16961)Predicted (SEA)44.2184
Histone deacetylase 5 structureClick to view 3D structureHistone deacetylase 5Q9UQL6HumansPredicted (SEA)4460.68
Peroxisome proliferator-activated receptor gamma structureClick to view 3D structurePeroxisome proliferator-activated receptor gammaP37231HumansPredicted (SEA)4806.8
Click to view 3D structureHistone deacetylase 1Q4QQW4Rattus norvegicusPredicted (SEA)527.74
Click to view 3D structureCannabinoid receptor 1P20272Rattus norvegicusPredicted (SEA)2355.25
Transient receptor potential cation channel subfamily V member 1 structureClick to view 3D structureTransient receptor potential cation channel subfamily V member 1Q8NER1HumansPredicted (SEA)4522.34
Click to view 3D structureAllene oxide synthase, chloroplasticQ96242Arabidopsis thalianaPredicted (SEA)181.856
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available