chempirical

Tetrabutylammonium acetate

C18H39NO2CAS 10534-59-5301.52 g/mol

Open in Covalent MOL file
OO−N+
Carboxylic acidQuaternary ammonium

Properties

Molecular formula
C18H39NO2
Molar mass
301.52 g/mol
Exact mass
301.2981 Da
Melting point
114–115 °C
logP
3.76Crippen estimate
Polar surface area
40.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
12

Hazards

Warning
Irritant (GHS07)

Aggregated from 56 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
10534-59-5
SMILES
CC(=O)[O-].CCCC[N+](CCCC)(CCCC)CCCC
InChIKey
MCZDHTKJGDCTAE-UHFFFAOYSA-M
InChI
InChI=1S/C16H36N.C2H4O2/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-2(3)4/h5-16H2,1-4H3;1H3,(H,3,4)/q+1;/p-1

Weigh it out

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

Names and synonyms

5 names
  • 1-Butanaminium, N,N,N-tributyl-, acetate (1:1)
  • Ammonium, tetrabutyl-, acetate
  • 1-Butanaminium, N,N,N-tributyl-, acetate
  • Tetra-n-butylammonium acetate
  • N,N,N-Tributyl-1-butanaminium acetate

Work with Tetrabutylammonium acetate

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.

Acetic acid64-19-7Free acid (2H3)Acetic (2H)acid1186-52-3Free acid, labelled Potassium acetate127-08-2Salt Tetra-n-butylammonium fluoride429-41-4Salt Tetra-n-butylammonium iodide311-28-4Salt Aluminium diacetate142-03-0Salt Copper(II) acetate142-71-2Salt Lead(II) acetate301-04-2Salt Calcium acetate62-54-4Salt Mercury(II) acetate1600-27-7Salt 4-Aminophenylmercuric acetate6283-24-5Salt Aluminium triacetate139-12-8Salt

Similar compounds

Dibutyltin diacetate1067-33-050 % similar Tributyltin acetate56-36-050 % similar Gold(3+) triacetate15804-32-744 % similar Rhodium(II) acetate15956-28-244 % similar Tetrapentylammonium iodide2498-20-641 % similar Tetrapentylammonium chloride4965-17-741 % similar Tetraoctylammonium bromide14866-33-240 % similar Tetradecylammonium bromide14937-42-940 % similar

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

Same formula

Ammonium stearate1002-89-7 Rel-(2R,3S)-2-Amino-1,3-octadecanediol3102-56-5

Elsewhere

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