Cyclohexanamine, N-[(diethoxymethylsilyl)methyl]- , CAS No.27445-54-1

CAS: 27445-54-1 Cat. No.: C992430 分子式: C₁₂H₂₇NO₂Si 分子量: 245.430

Storage

Room temperature

Specifications

保管条件

Room temperature

名前と識別子

• カノニカル・スマイル: CCO[Si](C)(CNC1CCCCC1)OCC
• IUPAC Name: N-[[diethoxy(methyl)silyl]methyl]cyclohexanamine
• InChIKey: REODOQPOCJZARG-UHFFFAOYSA-N
• INCHI: 1S/C12H27NO2Si/c1-4-14-16(3,15-5-2)11-13-12-9-7-6-8-10-12/h12-13H,4-11H2,1-3H3
• 分子量: 245.430

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • 分類 Organonitrogen compounds
      • Subclass Cyclohexylamines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• 分類: Organonitrogen compounds
• Subclass: Cyclohexylamines
• Intermediate Tree Nodes: Not available
• Direct Parent: Cyclohexylamines
• Alternative Parents: Alkoxysilanes Silyl ethers Organoheterosilanes Organic metalloid salts Dialkylamines Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Cyclohexylamine - Alkoxysilane - Silyl ether - Organoheterosilane - Organic metalloid salt - Secondary amine - Secondary aliphatic amine - Organic oxygen compound - Hydrocarbon derivative - Organosilicon compound - Organooxygen compound - Organic metalloid moeity - Amine - Aliphatic homomonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as cyclohexylamines. These are organic compounds containing a cyclohexylamine moiety, which consist of a cyclohexane ring attached to an amine 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

化学的性質と物理的性質

• 分子量: 245.430 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 7
• Exact Mass: 245.181 Da
• Monoisotopic Mass: 245.181 Da
• Topological Polar Surface Area: 30.500 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 178.000
• 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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