Tetramethylammoniumbisulfate hydrate - for ion pair chromatography, ≥99%(T) , CAS No.80526-82-5

CAS: 80526-82-5 Cat. No.: T102977 Molecular Weight: 171.22 Beilstein Registry Number: 4829202 EC Number: 279-490-5 PubChem CID: 157340

GRADE & PURITY for Ion pair chromatography, ≥99%(T)

Synonyms

EINECS 279-490-5 | AMY13717 | AC7796 | D95778 | DTXSID10230376 | hydrogen sulfate; tetramethylammonium | MFCD00036149 | AKOS015915112 | SY037155 | Tetramethyl ammonium hydrogen sulphate | Tetramethylammonium hydrogensulfate | tetramethylazanium hydrogen s

Storage

Room temperature

Shipped In

Normal

Overview

The application of ion-pairing reagents as mobile phase additives ensures the elution of ionic and highly polar substances on reversed phase HPLC columns. The purity of mobile phase additives is of foremost significance for their successful utilization. 

Specifications

Synonyms

EINECS 279-490-5 | AMY13717 | AC7796 | D95778 | DTXSID10230376 | hydrogen sulfate; tetramethylammonium | MFCD00036149 | AKOS015915112 | SY037155 | Tetramethyl ammonium hydrogen sulphate | Tetramethylammonium hydrogensulfate | tetramethylazanium hydrogen s

Specifications & Purity

for ion pair chromatography, ≥99%(T)

Storage

Room temperature

Shipped In

Normal

Grade

for Ion pair chromatography

Purity

≥99%(T)

Names and Identifiers

• Pubchem Sid: 488188274
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488188274
• Canonical Smiles: C[N+](C)(C)C.OS(=O)(=O)[O-]
• IUPAC Name: hydrogen sulfate;tetramethylazanium
• InChIKey: DWTYPCUOWWOADE-UHFFFAOYSA-M
• INCHI: 1S/C4H12N.H2O4S/c2*1-5(2,3)4/h1-4H3;(H2,1,2,3,4)/q+1;/p-1
• Isomeric SMILES: C[N+](C)(C)C.OS(=O)(=O)[O-]
• WGK Germany: 3
• Alternate CAS: 103812-00-6
• PubChem CID: 157340
• Molecular Weight: 171.22
• Beilstein: 4829202
• Reaxy-Rn: 4829202

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Organic sulfuric acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Organic sulfuric acids and derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Organic sulfuric acids and derivatives
• Alternative Parents: Tetraalkylammonium salts Organopnictogen compounds Organic salts Organic oxides Hydrocarbon derivatives Amines
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Tetraalkylammonium salt - Quaternary ammonium salt - Organic sulfuric acid or derivatives - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic salt - Organonitrogen compound - Amine - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as organic sulfuric acids and derivatives. These are organic compounds containing the sulfuric acid or a derivative thereof.
• 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

• Solubility: Solubility in Water almost transparency
• Molecular Weight: 171.220 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 171.057 Da
• Monoisotopic Mass: 171.057 Da
• Topological Polar Surface Area: 85.800 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 95.100
• 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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