N-Propyl-Methyl Piperidinium Bis(trifluoroMethylsulfonyl)Imide , CAS No.98837-98-0

CAS: 98837-98-0 Cat. No.: N997085 PubChem CID: 4176748

Storage

Room temperature

Specifications

Condiciones de almacenamiento de almacenamiento

Room temperature

Nombres e identificadores

• Sonrisas canónicas: C(F)(F)(F)S(=NS(=O)(=O)C(F)(F)F)(=O)[O-]
• IUPAC Name: 1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonimidate
• InChIKey: AHXNYDBSLAVPLY-UHFFFAOYSA-M
• INCHI: 1S/C2HF6NO4S2/c3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h(H,9,10,11)/p-1
• Isómeros SMILES: C(F)(F)(F)S(=NS(=O)(=O)C(F)(F)F)(=O)[O-]
• PubChem CID: 4176748

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase Organic sulfonic acids and derivatives
      • Subclass Organosulfonic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Organic sulfonic acids and derivatives
• Subclass: Organosulfonic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Organosulfonic acids and derivatives
• Alternative Parents: Sulfonyls Sulfonimidic acids Trihalomethanes Organofluorides Organic oxides Organic nitrogen compounds Hydrocarbon derivatives Alkyl fluorides Organic anions
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Sulfonimidic acid - Sulfonyl - Organosulfonic acid or derivatives - Trihalomethane - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Halomethane - Hydrocarbon derivative - Organosulfur compound - Organofluoride - Organohalogen compound - Alkyl halide - Alkyl fluoride - Organic anion - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as organosulfonic acids and derivatives. These are compounds containing a sulfonic acid or derivative, with the general structure RS(=O)2X (R=alkyl, aryl; X=any heteroatom).
• 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

Propiedades químicas y físicas

• Peso molecular: 280.150 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 1
• Exact Mass: 279.917 Da
• Monoisotopic Mass: 279.917 Da
• Topological Polar Surface Area: 103.000 Ų
• Heavy Atom Count: 15
• Formal Charge: -1
• Complexity: 390.000
• 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