N-(3-(Diethoxymethylsilyl)propyl)ethylenediamine , CAS No.70240-34-5

CAS: 70240-34-5 Cat. No.: N952638 Molecular Weight: 234.410 EC Number: 274-494-3

Storage

Room temperature

Specifications

Storage

Room temperature

Names and Identifiers

• Canonical Smiles: CCO[Si](C)(CCCNCCN)OCC
• IUPAC Name: N'-[3-[diethoxy(methyl)silyl]propyl]ethane-1,2-diamine
• InChIKey: YLBPOJLDZXHVRR-UHFFFAOYSA-N
• INCHI: 1S/C10H26N2O2Si/c1-4-13-15(3,14-5-2)10-6-8-12-9-7-11/h12H,4-11H2,1-3H3
• Molecular Weight: 234.410

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organometallic compounds
    • Class Organometalloid compounds
      • Subclass Organosilicon compounds

• Kingdom: Organic compounds
• Superclass: Organometallic compounds
• Class: Organometalloid compounds
• Subclass: Organosilicon compounds
• Intermediate Tree Nodes: Not available
• Direct Parent: Alkoxysilanes
• Alternative Parents: Silyl ethers Organoheterosilanes Organic metalloid salts Dialkylamines Organooxygen compounds Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Alkoxysilane - Silyl ether - Organoheterosilane - Organic metalloid salt - Secondary amine - Secondary aliphatic amine - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Primary amine - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Amine - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as alkoxysilanes. These are organosilicon compounds with the general formula RO[Si](OR')(R'')(R''') (R,R' = organyl; R'',R''' = any atom).
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Molecular Weight: 234.410 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 10
• Exact Mass: 234.176 Da
• Monoisotopic Mass: 234.176 Da
• Topological Polar Surface Area: 56.500 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 141.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

XLogP3

References

1. Haoran Li, Tianqi Ma, Yanchao Wu, Huimin Qi, Ga Zhang, Huijing Li.  (2025)  MOF/IL-hybridized polysiloxane with rapid room-temperature self-healing and dual antibacterial properties.  PROGRESS IN ORGANIC COATINGS,      [PMID:] [10.1016/j.porgcoat.2025.109894]