Diethyl(2-methoxyethyl)methylammonium Bis(fluorosulfonyl)imide - ≥98% , CAS No.1079129-48-8

CAS: 1079129-48-8 Cat. No.: D404203 Peso molecular: 326.37 Número EC: 833-604-5

GRADE & PURITY ≥98%

Synonyms

D5238 | T70061 | N,N-Diethyl-N-methyl-N-(2-methoxyethyl)ammonium imidodisulfuryl fluoride | 1079129-48-8 | N,N-Diethyl-N-methyl-N-(2-methoxyethyl)ammoniumimidodisulfurylfluoride | N,N-Diethyl-2-methoxy-N-methylethanaminium Bis(fluorosulfonyl)amide | Dieth

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Sinónimos

D5238 | T70061 | N, N-Diethyl-N-methyl-N-(2-methoxyethyl)ammonium imidodisulfuryl fluoride | 1079129-48-8 | N, N-Diethyl-N-methyl-N-(2-methoxyethyl)ammoniumimidodisulfurylfluoride | N, N-Diethyl-2-methoxy-N-methylethanaminium Bis(fluorosulfonyl)amide | Dieth

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Argon charged, Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504772352
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504772352
• Sonrisas canónicas: CC[N+](C)(CC)CCOC.[N-](S(=O)(=O)F)S(=O)(=O)F
• IUPAC Name: bis(fluorosulfonyl)azanide;diethyl-(2-methoxyethyl)-methylazanium
• InChIKey: OHKPLVVWXQGNTL-UHFFFAOYSA-N
• INCHI: 1S/C8H20NO.F2NO4S2/c1-5-9(3,6-2)7-8-10-4;1-8(4,5)3-9(2,6)7/h5-8H2,1-4H3;/q+1;-1
• Isómeros SMILES: CC[N+](C)(CC)CCOC.[N-](S(=O)(=O)F)S(=O)(=O)F
• Peso molecular: 326.37
• Reaxy-Rn: 19655124
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=19655124&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Clase Organonitrogen compounds
      • Subclass Quaternary ammonium salts

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Clase: Organonitrogen compounds
• Subclass: Quaternary ammonium salts
• Intermediate Tree Nodes: Not available
• Direct Parent: Cholines
• Alternative Parents: Tetraalkylammonium salts Dialkyl ethers Organic salts Organic oxides Hydrocarbon derivatives Amines Organic cations
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Choline - Tetraalkylammonium salt - Ether - Dialkyl ether - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic salt - Organooxygen compound - Amine - Organic cation - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as cholines. These are organic compounds containing a N,N,N-trimethylethanolammonium cation.
• 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

• Sensibilidad: Hygroscopic
• Índice de refracción: 1.44
• Punto de fusión (°C): -22 °C
• Peso molecular: 326.400 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 7
• Exact Mass: 326.078 Da
• Monoisotopic Mass: 326.078 Da
• Topological Polar Surface Area: 95.300 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 310.000
• 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. Jianpeng Zhang, Yuhang Li, Yufeng Xing.  (2019)  Ultrasoft, Adhesive and Millimeter Scale Epidermis Electronic Sensor for Real-Time Enduringly Monitoring Skin Strain.  SENSORS,  19  (11): (2442).  [PMID:31146328] [10.3390/s19112442]