N,N-Dimethylhexylamine-N-oxide - ≥95% , CAS No.34418-88-7

CAS: 34418-88-7 Cat. No.: N991261 Molecular Weight: 145.240 EC Number: 622-772-3

GRADE & PURITY ≥95%

Storage

Room temperature

Specifications

Specifications & Purity

≥95%

Storage

Room temperature

Purity

≥95%

Names and Identifiers

• Canonical Smiles: CCCCCC[N+](C)(C)[O-]
• IUPAC Name: N,N-dimethylhexan-1-amine oxide
• InChIKey: YYRMITYYFKZLLJ-UHFFFAOYSA-N
• INCHI: 1S/C8H19NO/c1-4-5-6-7-8-9(2,3)10/h4-8H2,1-3H3
• Molecular Weight: 145.240

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Class Organonitrogen compounds
      • Subclass Aminoxides

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Class: Organonitrogen compounds
• Subclass: Aminoxides
• Intermediate Tree Nodes: Not available
• Direct Parent: Trialkyl amine oxides
• Alternative Parents: Trisubstituted amine oxides and derivatives Organic salts Organic oxides Hydrocarbon derivatives Organic cations
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Trialkyl amine oxide - Trisubstituted n-oxide - N-oxide - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic salt - Organic cation - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as trialkyl amine oxides. These are hydrocarbyl derivatives of the aminoxide anion, with the general formula R3N+[O-] or R3N=O, where R is an alkyl 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: 145.240 g/mol
• XLogP3: 2.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 5
• Exact Mass: 145.147 Da
• Monoisotopic Mass: 145.147 Da
• Topological Polar Surface Area: 18.100 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 81.300
• 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