<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2016-05-19 03:25:49 UTC</creation_date>
  <update_date>2026-08-24 18:21:39 UTC</update_date>
  <accession/>
  <common_name>1,2-Ethanediamine, N-[3-(trimethoxysilyl)propyl]-</common_name>
  <class>SmallMolecule</class>
  <description>1,2-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.</description>
  <categories/>
  <types/>
  <synonyms>
    <synonym>(2-aminoethyl)[3-(trimethoxysilyl)propyl]amine</synonym>
    <synonym>N-(3-(trimethoxysilyl)propyl)ethylenediamine</synonym>
    <synonym>N-[3-(Trimethoxysilyl)propyl]ethane-1,2-diamine</synonym>
  </synonyms>
  <chemical_formula>C8H22N2O3Si</chemical_formula>
  <average_molecular_weight>222.36</average_molecular_weight>
  <monisotopic_moleculate_weight>222.139969111</monisotopic_moleculate_weight>
  <iupac_name>(2-aminoethyl)[3-(trimethoxysilyl)propyl]amine</iupac_name>
  <traditional_iupac>(2-aminoethyl)[3-(trimethoxysilyl)propyl]amine</traditional_iupac>
  <cas_registry_number>1760-24-3</cas_registry_number>
  <smiles>CO[Si](CCCNCCN)(OC)OC</smiles>
  <inchi>InChI=1S/C8H22N2O3Si/c1-11-14(12-2,13-3)8-4-6-10-7-5-9/h10H,4-9H2,1-3H3</inchi>
  <inchikey>PHQOGHDTIVQXHL-UHFFFAOYSA-N</inchikey>
  <taxonomy>
    <kingdom>Organic compounds</kingdom>
    <super_class>Organometallic compounds</super_class>
    <class>Organometalloid compounds</class>
    <sub_class>Organosilicon compounds</sub_class>
    <direct_parent>Trialkoxysilanes</direct_parent>
    <alternate_parents>
      <alternative_parent>Dialkylamines</alternative_parent>
      <alternative_parent>Hydrocarbon derivatives</alternative_parent>
      <alternative_parent>Monoalkylamines</alternative_parent>
      <alternative_parent>Organic metalloid salts</alternative_parent>
      <alternative_parent>Organoheterosilanes</alternative_parent>
      <alternative_parent>Organooxygen compounds</alternative_parent>
      <alternative_parent>Organopnictogen compounds</alternative_parent>
      <alternative_parent>Silyl ethers</alternative_parent>
    </alternate_parents>
    <substituents>
      <substituent>Aliphatic acyclic compound</substituent>
      <substituent>Amine</substituent>
      <substituent>Hydrocarbon derivative</substituent>
      <substituent>Organic metalloid salt</substituent>
      <substituent>Organic nitrogen compound</substituent>
      <substituent>Organic oxygen compound</substituent>
      <substituent>Organic salt</substituent>
      <substituent>Organoheterosilane</substituent>
      <substituent>Organonitrogen compound</substituent>
      <substituent>Organooxygen compound</substituent>
      <substituent>Organopnictogen compound</substituent>
      <substituent>Primary aliphatic amine</substituent>
      <substituent>Primary amine</substituent>
      <substituent>Secondary aliphatic amine</substituent>
      <substituent>Secondary amine</substituent>
      <substituent>Silyl ether</substituent>
      <substituent>Trialkoxysilane</substituent>
    </substituents>
    <molecular_framework>Aliphatic acyclic compounds</molecular_framework>
    <descriptors/>
  </taxonomy>
  <status>Detected and Not Quantified</status>
  <origin/>
  <cellular_locations/>
  <biofluid_locations/>
  <tissue_locations/>
  <pathways/>
  <state/>
  <appearance/>
  <experimental_properties/>
  <predicted_properties>
    <property>
      <kind>logp</kind>
      <value>0.16</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logs</kind>
      <value>-1.23</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>solubility</kind>
      <value>1.31e+01 g/l</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logp</kind>
      <value>-0.52</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>pka_strongest_basic</kind>
      <value>9.88</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>iupac</kind>
      <value>(2-aminoethyl)[3-(trimethoxysilyl)propyl]amine</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>average_mass</kind>
      <value>222.36</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>222.139969111</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>CO[Si](CCCNCCN)(OC)OC</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C8H22N2O3Si</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C8H22N2O3Si/c1-11-14(12-2,13-3)8-4-6-10-7-5-9/h10H,4-9H2,1-3H3</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>PHQOGHDTIVQXHL-UHFFFAOYSA-N</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>polar_surface_area</kind>
      <value>65.74</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>refractivity</kind>
      <value>52.13</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>polarizability</kind>
      <value>24.48</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>rotatable_bond_count</kind>
      <value>9</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>acceptor_count</kind>
      <value>5</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>donor_count</kind>
      <value>2</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>physiological_charge</kind>
      <value>2</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formal_charge</kind>
      <value>0</value>
      <source>ChemAxon</source>
    </property>
  </predicted_properties>
  <route_of_exposure/>
  <mechanism_of_toxicity/>
  <metabolism/>
  <toxicity/>
  <lethaldose/>
  <carcinogenicity/>
  <use_source/>
  <min_risk_level/>
  <health_effects>#&lt;HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f3bafc6cf90&gt;</health_effects>
  <symptoms/>
  <treatment/>
  <drugbank_id/>
  <hmdb_id/>
  <pubchem_compound_id>15659</pubchem_compound_id>
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</compound>
