1,2-Ethanediamine, N-[3-(trimethoxysilyl)propyl]- (CHEM010642)

IdentificationTaxonomyBiological PropertiesPhysical PropertiesToxicity ProfileSpectraConcentrationsLinksReferencesTargets (25)XML
Record Information
Version1.0
Creation Date2016-05-19 03:25:49 UTC
Update Date2026-08-24 18:21:39 UTC
Accession NumberCHEM010642
Identification
Common Name1,2-Ethanediamine, N-[3-(trimethoxysilyl)propyl]-
ClassSmall Molecule
Description1,2-Ethanediamine, N-[3-(trimethoxysilyl)propyl]- is an organic compound with the formula C8H22N2O3Si and an average molecular weight of 222.36 g/mol. 1,2-Ethanediamine, N-[3-(trimethoxysilyl)propyl]- belongs to the organosilicon compounds, a subclass of organometalloid compounds within the organic compounds. This compound serves numerous industrial roles and uses. It is employed as a binder, hardener, and sealant (barrier), as well as an adhesion/cohesion promoter and a surface modifier. Additionally, it functions as a dehydrating agent (desiccant), a chemical reaction regulator, a thickening agent, a lubricating agent, and a non-aqueous wetting agent. The compound is found in or released from 32 recorded sources. Within electrical and electronic equipment, it is associated with antennas, coils, auxiliary devices, adjustable resistors, and communication cables or conductors, among 14 other items. In building and construction, it is found in roofs, ceilings, floors, stairs and ramps, ladders, and one other source. It is also present in household cleaning and consumer products, including soap detergents, bleaching agents, cigar cigarettes, non electric simulated smoking devices, other smoking requisites, and one additional product. Furthermore, it has been identified in drinking water and water supply. The recorded exposure route for this compound is oral.
Contaminant Sources
  • HPV EPA Chemicals
  • OECD HPV Chemicals
  • STOFF IDENT Compounds
  • ToxCast & Tox21 Chemicals
Contaminant TypeNot Available
Chemical Structure
Thumb
MOLSDFPDBSMILESInChI
Synonyms
ValueSource
N-(2-Aminoethyl)-3-aminopropyltrimethoxysilaneMeSH
Aminoethyl-aminopropyl-trimethoxysilaneMeSH
N-(2-Aminoethyl)-3-aminopropyl-trimethoxysilaneMeSH
N-AAPTN-silaneMeSH
Aminoethyl-aminopropyl-trimethoxysilane monohydrochlorideMeSH
AEA CPDMeSH
TrimethoxysilylpropylethylenediamineMeSH
(Trimethoxysilylpropyl)ethylenediamineMeSH
N-(3-(Trimethoxysilyl)propyl)-1,2-ethanediamineMeSH
Chemical FormulaC8H22N2O3Si
Average Molecular Mass222.360 g/mol
Monoisotopic Mass222.140 g/mol
CAS Registry Number1760-24-3
IUPAC NameN'-(3-trimethoxysilylpropyl)ethane-1,2-diamine
Traditional Name(2-aminoethyl)[3-(trimethoxysilyl)propyl]amine
SMILESCO[Si](CCCNCCN)(OC)OC
InChI IdentifierInChI=1S/C8H22N2O3Si/c1-11-14(12-2,13-3)8-4-6-10-7-5-9/h10H,4-9H2,1-3H3
InChI KeyPHQOGHDTIVQXHL-UHFFFAOYSA-N
Chemical Taxonomy
Description belongs to the class of organic compounds known as trialkoxysilanes. These are organosilicon compounds with the general formula RO[Si](R')(OR'')OR''' (R-R''' = aliphatic organyl group).
KingdomOrganic compounds
Super ClassOrganometallic compounds
ClassOrganometalloid compounds
Sub ClassOrganosilicon compounds
Direct ParentTrialkoxysilanes
Alternative Parents
Substituents
  • Trialkoxysilane
  • Silyl ether
  • Secondary aliphatic amine
  • Secondary amine
  • Organoheterosilane
  • Organic metalloid salt
  • Amine
  • Organic salt
  • Hydrocarbon derivative
  • Organopnictogen compound
  • Organic oxygen compound
  • Primary amine
  • Organooxygen compound
  • Organonitrogen compound
  • Primary aliphatic amine
  • Organic nitrogen compound
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External DescriptorsNot Available
Biological Properties
StatusDetected and Not Quantified
OriginNot Available
Cellular LocationsNot Available
Biofluid LocationsNot Available
Tissue LocationsNot Available
PathwaysNot Available
ApplicationsNot Available
Biological RolesNot Available
Chemical RolesNot Available
Physical Properties
StateNot Available
AppearanceNot Available
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
Predicted Properties
PropertyValueSource
Water Solubility13.1 g/LALOGPS
logP0.16ALOGPS
logP-0.52ChemAxon
logS-1.2ALOGPS
pKa (Strongest Basic)9.88ChemAxon
Physiological Charge2ChemAxon
Hydrogen Acceptor Count5ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area65.74 ŲChemAxon
Rotatable Bond Count9ChemAxon
Refractivity52.13 m³·mol⁻¹ChemAxon
Polarizability24.48 ųChemAxon
Number of Rings0ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Spectra
Spectra
Spectrum TypeDescriptionSplash KeyView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-00di-3390000000-fe0c6ee19915c711f8fcSpectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-0006-6920000000-c32e438762425ddec7d0Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-01ox-9600000000-278a26369b15bf4ae522Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-00di-2930000000-5c174aa6b2f8fa480ef9Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-00di-3950000000-bfaf46baacbd2d4499fbSpectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-0a4l-9800000000-a74de59b55a246d3fb7eSpectrum
Toxicity Profile
Route of ExposureNot Available
Mechanism of ToxicityNot Available
MetabolismNot Available
Toxicity ValuesNot Available
Lethal DoseNot Available
Carcinogenicity (IARC Classification)Not Available
Uses/SourcesNot Available
Minimum Risk LevelNot Available
Health EffectsNot Available
SymptomsNot Available
TreatmentNot Available
Concentrations
Not Available
DrugBank IDNot Available
HMDB IDNot Available
FooDB IDNot Available
Phenol Explorer IDNot Available
KNApSAcK IDNot Available
BiGG IDNot Available
BioCyc IDNot Available
METLIN IDNot Available
PDB IDNot Available
Wikipedia LinkNot Available
Chemspider IDNot Available
ChEBI IDNot Available
PubChem Compound ID15659
Kegg Compound IDNot Available
YMDB IDNot Available
ECMDB IDNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available