Amyltriethylammonium Bis(trifluoromethanesulfonyl)imide - ≥98% , CAS No.906478-91-9

CAS: 906478-91-9 Cat. No.: A121241 Molecular Weight: 452.47 EC Number: 677-132-6

GRADE & PURITY ≥98%

Synonyms

AmyltriethylammoniumBis(trifluoromethanesulfonyl)imide | bis(trifluoromethylsulfonyl)azanide;triethyl(pentyl)ammonium | Triethylpentylammonium Bis(trifluoromethanesulfonyl)imide | Amyltriethylammonium Bis(trifluoromethanesulfonyl)imide | bis(trifluorometh

Storage

Room temperature,Cool

Shipped In

Normal

Specifications

Synonyms

AmyltriethylammoniumBis(trifluoromethanesulfonyl)imide | bis(trifluoromethylsulfonyl)azanide;triethyl(pentyl)ammonium | Triethylpentylammonium Bis(trifluoromethanesulfonyl)imide | Amyltriethylammonium Bis(trifluoromethanesulfonyl)imide | bis(trifluorometh

Specifications & Purity

≥98%

Storage

Room temperature, Cool

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488201590
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488201590
• Canonical Smiles: CCCCC[N+](CC)(CC)CC.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F
• IUPAC Name: bis(trifluoromethylsulfonyl)azanide;triethyl(pentyl)azanium
• InChIKey: ALYCOCULEAWWJO-UHFFFAOYSA-N
• INCHI: 1S/C11H26N.C2F6NO4S2/c1-5-9-10-11-12(6-2,7-3)8-4;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h5-11H2,1-4H3;/q+1;-1
• Isomeric SMILES: CCCCC[N+](CC)(CC)CC.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F
• Molecular Weight: 452.47
• Reaxy-Rn: 10627913
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=10627913&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Organic sulfonic acids and derivatives
• Subclass: Organosulfonic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Organosulfonic acids and derivatives
• Alternative Parents: Tetraalkylammonium salts Sulfonyls Trihalomethanes Organopnictogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Amines Alkyl fluorides Organic cations
• Molecular Framework: Not available
• Substituents: Quaternary ammonium salt - Organosulfonic acid or derivatives - Sulfonyl - Tetraalkylammonium salt - Trihalomethane - Amine - Halomethane - Hydrocarbon derivative - Alkyl halide - Alkyl fluoride - Organosulfur compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organic cation - Aliphatic acyclic compound
• Description: 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

Chemical and Physical Properties

• Refractive Index: 1.43
• Molecular Weight: 452.500 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 9
• Exact Mass: 452.124 Da
• Monoisotopic Mass: 452.124 Da
• Topological Polar Surface Area: 86.000 Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 461.000
• 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: 2

XLogP3