N-(6-AMINOHEXYL)AMINOMETHYLTRIETHOXYSILANE - ≥92% , CAS No.15129-36-9

CAS: 15129-36-9 Cat. No.: N693864 Molecular Weight: 292.495 EC Number: 696-371-7

GRADE & PURITY ≥92%

Storage

Room temperature

Specifications

Specifications & Purity

≥92%

Storage

Room temperature

Purity

≥92%

Names and Identifiers

• Canonical Smiles: CCO[Si](CNCCCCCCN)(OCC)OCC
• IUPAC Name: N'-(triethoxysilylmethyl)hexane-1,6-diamine
• InChIKey: RRQTYXHHYIJDFB-UHFFFAOYSA-N
• INCHI: 1S/C13H32N2O3Si/c1-4-16-19(17-5-2,18-6-3)13-15-12-10-8-7-9-11-14/h15H,4-14H2,1-3H3
• Isomeric SMILES: CCO[Si](CNCCCCCCN)(OCC)OCC
• Molecular Weight: 292.495
• Reaxy-Rn: 2640307
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2640307&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: Silyl ethers Organoheterosilanes Organic metalloid salts Dialkylamines Organopnictogen compounds Organooxygen compounds Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• 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
• 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

• Boil Point(°C): 160/0.1
• Molecular Weight: 292.490 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 14
• Exact Mass: 292.218 Da
• Monoisotopic Mass: 292.218 Da
• Topological Polar Surface Area: 65.700 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 180.000
• 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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