2-(4-PYRIDYLETHYL)TRIETHOXYSILANE - ≥97% , CAS No.98299-74-2

CAS: 98299-74-2 Cat. No.: T768286 Molecular Weight: 269.41 PubChem CID: 18757533

GRADE & PURITY ≥97%

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

Specifications

Specifications & Purity

≥97%

Storage

Store at 2-8°C, Desiccated

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥97%

Names and Identifiers

• Canonical Smiles: CCO[Si](CCC1=CC=NC=C1)(OCC)OCC
• IUPAC Name: triethoxy(2-pyridin-4-ylethyl)silane
• InChIKey: MMZPUXVBQAQQDQ-UHFFFAOYSA-N
• INCHI: 1S/C13H23NO3Si/c1-4-15-18(16-5-2,17-6-3)12-9-13-7-10-14-11-8-13/h7-8,10-11H,4-6,9,12H2,1-3H3
• Isomeric SMILES: CCO[Si](CCC1=CC=NC=C1)(OCC)OCC
• PubChem CID: 18757533
• Molecular Weight: 269.41

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: Pyridines and derivatives Heteroaromatic compounds Silyl ethers Organoheterosilanes Organic metalloid salts Azacyclic compounds Organooxygen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Trialkoxysilane - Pyridine - Heteroaromatic compound - Silyl ether - Organoheterosilane - Azacycle - Organic metalloid salt - Organoheterocyclic compound - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteromonocyclic 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

• Molecular Weight: 269.410 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 9
• Exact Mass: 269.145 Da
• Monoisotopic Mass: 269.145 Da
• Topological Polar Surface Area: 40.600 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 193.000
• 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

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