Trimethylpropylammonium Bis(trifluoromethanesulfonyl)imide - ≥98% , CAS No.268536-05-6

CAS: 268536-05-6 Cat. No.: T162204 Peso molecular: 382.34 Número EC: 691-430-3 PubChem CID: 53384436

GRADE & PURITY ≥98%

Synonyms

NFLGAVZONHCOQE-UHFFFAOYSA-N | N-Trimethyl-N-propylammonium bis(trifluoromethanesulfonyl)imide | trimethylpropylammoniumbis(trifluoromethanesulfonyl)imide | DTXSID00693719 | trimethylpropylammonium bis(trifluoromethylsulphonyl)imide | D92638 | MFCD08458920

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

NFLGAVZONHCOQE-UHFFFAOYSA-N | N-Trimethyl-N-propylammonium bis(trifluoromethanesulfonyl)imide | trimethylpropylammoniumbis(trifluoromethanesulfonyl)imide | DTXSID00693719 | trimethylpropylammonium bis(trifluoromethylsulphonyl)imide | D92638 | MFCD08458920

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488201593
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488201593
• Sonrisas canónicas: CCC[N+](C)(C)C.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F
• IUPAC Name: bis(trifluoromethylsulfonyl)azanide;trimethyl(propyl)azanium
• InChIKey: NFLGAVZONHCOQE-UHFFFAOYSA-N
• INCHI: 1S/C6H16N.C2F6NO4S2/c1-5-6-7(2,3)4;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h5-6H2,1-4H3;/q+1;-1
• Isómeros SMILES: CCC[N+](C)(C)C.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F
• PubChem CID: 53384436
• Peso molecular: 382.34
• Reaxy-Rn: 8739262

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: 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
• 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

• Índice de refracción: 1.40
• Punto de fusión (°C): 19°C(lit.)
• Peso molecular: 382.300 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 4
• Exact Mass: 382.046 Da
• Monoisotopic Mass: 382.046 Da
• Topological Polar Surface Area: 86.000 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 416.000
• 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

Referencias

1. Zheng Bo, Xu Zhang, Zhesong Huang, Yuhui Huang, Jianhua Yan, Kefa Cen, Huachao Yang.  (2023)  Binary ionic liquids hybrid electrolyte based supercapacitors with high energy & power density.  RSC Advances,  13  (23): (15762-15771).  [PMID:37235105] [10.1039/D3RA01634J]