3-[Bis(2-hydroxyethyl)amino]propyl-triethoxysilane solution - technical grade, ~65% in ethanol , CAS No.7538-44-5

CAS: 7538-44-5 Cat. No.: B477144 Molecular Weight: 309.47

GRADE & PURITY Technical grade, ~65% in ethanol

Synonyms

2,2'-[[3-(Triethoxysilyl)propyl]imino]bis[ethanol] | 3-[N,N-Bis(2-hydroxyethyl)amino]propyltriethoxysilane | N,N-Bis(2-Hydroxyethyl)-3-Aminopropyltriethoxysilane, 62% In Ethanol | S01900 | 2NL7LS946D | [Bis(2-hydroxyethyl)aminopropyl]triethoxysilane | Eth

Storage

Room temperature

Overview

Description

3-[Bis(2-hydroxyethyl)amino]propyl-triethoxysilane solution was used to functionalize nanoporous silica (SBA-15).

Specifications

Synonyms

2, 2'-[[3-(Triethoxysilyl)propyl]imino]bis[ethanol] | 3-[N, N-Bis(2-hydroxyethyl)amino]propyltriethoxysilane | N, N-Bis(2-Hydroxyethyl)-3-Aminopropyltriethoxysilane, 62% In Ethanol | S01900 | 2NL7LS946D | [Bis(2-hydroxyethyl)aminopropyl]triethoxysilane | Eth

Specifications & Purity

technical grade, ~65% in ethanol

Storage

Room temperature

Grade

Technical grade

Names and Identifiers

• Canonical Smiles: CCO[Si](CCCN(CCO)CCO)(OCC)OCC
• IUPAC Name: 2-[2-hydroxyethyl(3-triethoxysilylpropyl)amino]ethanol
• InChIKey: IYAYDWLKTPIEDC-UHFFFAOYSA-N
• INCHI: 1S/C13H31NO5Si/c1-4-17-20(18-5-2,19-6-3)13-7-8-14(9-11-15)10-12-16/h15-16H,4-13H2,1-3H3
• Isomeric SMILES: CCO[Si](CCCN(CCO)CCO)(OCC)OCC
• WGK Germany: 3
• Molecular Weight: 309.47
• Reaxy-Rn: 15650749
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=15650749&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organometallic compounds
    • Class Organometalloid compounds
      • Subclass Organosilicon compounds
        • Level5 Alkoxysilanes
          • Level6 Trialkoxysilanes

• Kingdom: Organic compounds
• Superclass: Organometallic compounds
• Class: Organometalloid compounds
• Subclass: Organosilicon compounds
• Intermediate Tree Nodes: Alkoxysilanes
• Direct Parent: Trialkoxysilanes
• Alternative Parents: Trialkylamines Silyl ethers 1,2-aminoalcohols Organoheterosilanes Organic metalloid salts Primary alcohols Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Trialkoxysilane - 1,2-aminoalcohol - Tertiary amine - Tertiary aliphatic amine - Silyl ether - Alkanolamine - Organoheterosilane - Organic metalloid salt - Alcohol - Organopnictogen compound - Organic oxygen compound - Primary alcohol - Organooxygen compound - Organonitrogen compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organic salt - Aliphatic acyclic compound
• Description: This compound 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).
• 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

• Flash Point(°F): 73.4 °F
• Flash Point(°C): 23 °C
• Molecular Weight: 309.470 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 14
• Exact Mass: 309.197 Da
• Monoisotopic Mass: 309.197 Da
• Topological Polar Surface Area: 71.400 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 198.000
• 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. Liang Jiajie, Wang Shaojie, Luo Zhen, Fu Jing, Hu Jun, He Jinliang, Li Qi.  (2022)  Correlating the Interfacial Polar-Phase Structure to the Local Chemistry in Ferroelectric Polymer Nanocomposites by Combined Scanning Probe Microscopy.  Nano-Micro Letters,  15  (1): (1-14).  [PMID:36472752] [10.1007/s40820-022-00978-3]