Ethanamine, N,N-diethyl-, N-oxide - ≥95% , CAS No.2687-45-8

CAS: 2687-45-8 Cat. No.: E1359002 Summenformel: C₆H₁₅NO Molekulargewicht: 117.19 EG-Nummer: 700-199-0

GRADE & PURITY ≥95%

Storage

Room temperature

Shipped In

Normal

Specifications

Spezifikationen & Reinheit

≥95%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥95%

Namen und Kennungen

• Kanonisches Lächeln: CC[N+](CC)(CC)[O-]
• IUPAC Name: N,N-diethylethanamine oxide
• InChIKey: LFMTUFVYMCDPGY-UHFFFAOYSA-N
• INCHI: 1S/C6H15NO/c1-4-7(8,5-2)6-3/h4-6H2,1-3H3
• Molekulargewicht: 117.19

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Klasse: Organonitrogen compounds
• Subclass: Aminoxides
• Intermediate Tree Nodes: Not available
• Direct Parent: Trialkyl amine oxides
• Alternative Parents: Trisubstituted amine oxides and derivatives Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Trialkyl amine oxide - Trisubstituted n-oxide - N-oxide - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Aliphatic acyclic compound
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 117.190 g/mol
• XLogP3: 0.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 117.115 Da
• Monoisotopic Mass: 117.115 Da
• Topological Polar Surface Area: 18.100 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 51.300
• 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