Tetraethylammonium p-toluenesulfonate

C15H27NO3SCAS 733-44-8301.45 g/mol

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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

Hazards

Warning
Irritant (GHS07)

Aggregated from 46 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

p-Toluenesulfonic acid monohydrate6192-52-5Hydrate p-Toluenesulfonic acid104-15-4Free acid Sodium p-toluenesulfonate657-84-1Salt Tetraethylammonium bromide71-91-0Salt Pyridinium p-toluenesulfonate24057-28-1Salt Tetraethylammonium chloride56-34-8Salt Tetraethylammonium iodide68-05-3Salt Collidinium P-toluenesulfonate59229-09-3Salt Tetraethylammonium hydroxide77-98-5Salt Ferric p-toluenesulfonate77214-82-5Salt Trump IR134127-48-3Salt Tetraethylammonium perfluorooctanesulfonate56773-42-3Salt

Similar compounds

N-Ethyl-4-methylbenzenesulfonamide80-39-742 % similar Sodium xylenesulfonate1300-72-741 % similar Ethyl p-toluenesulfonate80-40-041 % similar Sodium p-aminobenzenesulfonate515-74-241 % similar Sodium 4-hydroxybenzenesulfonate825-90-141 % similar Calcium dodecylbenzenesulfonate26264-06-240 % similar Methyl p-tolyl sulfone3185-99-740 % similar Sodium benzenesulfonate515-42-440 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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