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Tetrabutylammonium hydrogensulfate

CAT: 0013-GTR19244828-01Size: 50 gDry Ice: NoHazardous: No
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CAT#:0013-GTR19244828-01Size:50 g
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Description
Tetrabutylammonium hydrosulfate is a quaternary ammonium salt commonly employed as a phase transfer catalyst, acid catalyst, and reagent in various chemical reactions, particularly in organic synthesis. It possesses unique chemical properties that enable it to facilitate the transfer of ions or molecules between phases, making it crucial in numerous industrial processes.
CAS Number
32503-27-8
Smiles
O=S (=O) ([O-]) O.CCCC[N+] (CCCC) (CCCC) CCCC
Molecular Formula
C16H37NO4S
Molecular Weight
339.53
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Tetrabutylammonium hydrogen sulfate
CAS Number32503-27-8
PubChem CID94433
IUPAC Namehydrogen sulfate;tetrabutylazanium
Molecular FormulaC16H37NO4S
Molecular Weight339.5
Topological Polar Surface Area85.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count12
Heavy Atom Count22
Formal Charge0
Complexity192
SMILES
CCCC[N+](CCCC)(CCCC)CCCC.OS(=O)(=O)[O-]
InChI
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
InChIKey
SHFJWMWCIHQNCP-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of Tetrabutylammonium hydrogen sulfate
CAS: 32503-27-8
CID: 94433
Formula: C16H37NO4S
MW: 339.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight339.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count12
Exact Mass339.24432984
Monoisotopic Mass339.24432984
Topological Polar Surface Area85.8 Ų
Heavy Atom Count22
Formal Charge0
Complexity192
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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