Tetrabutylammonium hydrogensulfate（TBAHS） - anhydrous, ≥97% , CAS No.32503-27-8

CAS: 32503-27-8 Cat. No.: T432627 Molecular Weight: 339.53 Beilstein Registry Number: 3599663 EC Number: 251-068-5 PubChem CID: 94433

GRADE & PURITY Anhydrous Grade, ≥97%

Synonyms

HY-Y1045 | I0368 | tetrabutyl ammonium hydrogen sulfate | tetra-n-butyl ammonium hydrogen sulfate | tetrabutylammonium hydrogen sulfate salt | tetrabutylammoniumbisulfate | tetra-n-butylammonium hydrogen sulphate | tetra-n-butyl-ammonium hydrogen sulphate

Storage

Room temperature

Specifications

Synonyms

HY-Y1045 | I0368 | tetrabutyl ammonium hydrogen sulfate | tetra-n-butyl ammonium hydrogen sulfate | tetrabutylammonium hydrogen sulfate salt | tetrabutylammoniumbisulfate | tetra-n-butylammonium hydrogen sulphate | tetra-n-butyl-ammonium hydrogen sulphate

Specifications & Purity

anhydrous, ≥97%

Storage

Room temperature

Grade

Anhydrous Grade

Purity

≥97%

Names and Identifiers

• Canonical Smiles: CCCC[N+](CCCC)(CCCC)CCCC.OS(=O)(=O)[O-]
• IUPAC Name: hydrogen sulfate;tetrabutylazanium
• InChIKey: SHFJWMWCIHQNCP-UHFFFAOYSA-M
• INCHI: 1S/C16H36N.H2O4S/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-5(2,3)4/h5-16H2,1-4H3;(H2,1,2,3,4)/q+1;/p-1
• Isomeric SMILES: CCCC[N+](CCCC)(CCCC)CCCC.OS(=O)(=O)[O-]
• WGK Germany: 3
• PubChem CID: 94433
• Molecular Weight: 339.53
• Beilstein: 3599663
• Reaxy-Rn: 3599663

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

Associated Targets(non-human)

Staphylococcus epidermidis (22802 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Melt Point(°C): 170.0－175.0°C
• Molecular Weight: 339.500 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 12
• Exact Mass: 339.244 Da
• Monoisotopic Mass: 339.244 Da
• Topological Polar Surface Area: 85.800 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 192.000
• 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

References

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