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Ethyl(2-methoxyethyl)dimethylammonium Bis(trifluoromethanesulfonyl)imide - >98.0%(T), high purity , CAS No.557788-37-1
Basic Description
Synonyms
Ethyl(2-methoxyethyl)dimethylammoniumBis(trifluoromethanesulfonyl)imide | Ethyl-2-methoxyethyldimethylammonium bis-(trifluoromethylsulfonyl)imide | bis(trifluoromethylsulfonyl)azanide;ethyl-(2-methoxyethyl)-dimethylazanium | N-ethyl-N-(2-methoxyethyl)-N,N
Specifications & Purity
≥98%(T)
Storage Temp
Argon charged
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organic nitrogen compounds
Class
Organonitrogen compounds
Subclass
Quaternary ammonium salts
Intermediate Tree Nodes
Not available
Direct Parent
Cholines
Alternative Parents
Tetraalkylammonium salts Sulfonyls Organosulfonic acids and derivatives Trihalomethanes Dialkyl ethers Organofluorides Organic oxides Hydrocarbon derivatives Amines Alkyl fluorides Organic cations
Molecular Framework
Not available
Substituents
Choline - Tetraalkylammonium salt - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Trihalomethane - Dialkyl ether - Ether - Alkyl fluoride - Alkyl halide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organofluoride - Organohalogen compound - Halomethane - Organic oxide - Organic oxygen compound - Amine - Organic cation - Aliphatic acyclic compound
Description
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.
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
IUPAC Name
bis(trifluoromethylsulfonyl)azanide;ethyl-(2-methoxyethyl)-dimethylazanium
INCHI
InChI=1S/C7H18NO.C2F6NO4S2/c1-5-8(2,3)6-7-9-4;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h5-7H2,1-4H3;/q+1;-1
InChIKey
NGLLWWMHAWYWLY-UHFFFAOYSA-N
Smiles
CC[N+](C)(C)CCOC.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F
Isomeric SMILES
CC[N+](C)(C)CCOC.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F
Molecular Weight
412.36
Reaxy-Rn
10132821
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=10132821&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Sensitivity
Hygroscopic
Refractive Index
1.41
Molecular Weight
412.400 g/mol
XLogP3
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
12
Rotatable Bond Count
6
Exact Mass
412.056 Da
Monoisotopic Mass
412.056 Da
Topological Polar Surface Area
95.300 Ų
Heavy Atom Count
24
Formal Charge
0
Complexity
445.000
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
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