chempirical

Tetraethylammonium P-toluenesulfonate

C15H27NO3SCAS 733-44-8301.45 g/mol

Open in Covalent MOL file
N+SOOO−
Quaternary ammoniumSulfonic acid

Properties

Molecular formula
C15H27NO3S
Molar mass
301.45 g/mol
Exact mass
301.1712 Da
Melting point
103–104 °C
logP
2.78Crippen estimate
Polar surface area
57.2 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
5

Identifiers

CAS number
733-44-8
SMILES
CC[N+](CC)(CC)CC.Cc1ccc(S(=O)(=O)[O-])cc1
InChIKey
QKFFSWPNFCXGIQ-UHFFFAOYSA-M
InChI
InChI=1S/C8H20N.C7H8O3S/c1-5-9(6-2,7-3)8-4;1-6-2-4-7(5-3-6)11(8,9)10/h5-8H2,1-4H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

8 names
  • Ethanaminium, N,N,N-triethyl-, 4-methylbenzenesulfonate (1:1)
  • Ammonium, tetraethyl-, p-toluenesulfonate
  • Ethanaminium, N,N,N-triethyl-, salt with 4-methylbenzenesulfonic acid (1:1)
  • Tetraethylammonium p-tolylsulfonate
  • Tetraethylammonium tosylate
  • Tetraethylammonium p-toluenesulphonate
  • Tetraethylammonium toluenesulfonate
  • Tetraethylammonium p-tosylate

Work with Tetraethylammonium P-toluenesulfonate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Sodium 4-methylbenzenesulfonate12068-03-068 % similar Sodium P-toluenesulfonate657-84-168 % similar Silver tosylate16836-95-666 % similar Ferric P-toluenesulfonate77214-82-566 % similar Zinc P-toluenesulfonate hydrate123334-05-460 % similar Choline p-toluenesulfonate55357-38-557 % similar 2-Fluoro-1-methylpyridinium P-toluenesulfonate58086-67-247 % similar 2-Chloro-1-methylpyridinium 4-methylbenzenesulfonate (1:1)7403-46-547 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook