chempirical

Tetrabutylammonium dihydrogen phosphate

C16H38NO4PCAS 5574-97-0339.46 g/mol

Open in Covalent MOL file
N+OPO−HOOH
PhosphateQuaternary ammonium

Properties

Molecular formula
C16H38NO4P
Molar mass
339.46 g/mol
Exact mass
339.2538 Da
logP
3.44Crippen estimate
Polar surface area
80.6 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
12

Identifiers

CAS number
5574-97-0
SMILES
CCCC[N+](CCCC)(CCCC)CCCC.O=P([O-])(O)O
InChIKey
ARRNBPCNZJXHRJ-UHFFFAOYSA-M
InChI
InChI=1S/C16H36N.H3O4P/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;(H3,1,2,3,4)/q+1;/p-1

Weigh it out

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

Names and synonyms

4 names
  • 1-Butanaminium, N,N,N-tributyl-, phosphate (1:1)
  • Ammonium, tetrabutyl-, phosphate (1:1)
  • Tetrabutylammonium phosphate
  • TBAP

Work with Tetrabutylammonium dihydrogen phosphate

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

Tetrabutylammonium hydrogen sulfate32503-27-848 % similar Tetrabutylammonium nitrate1941-27-148 % similar Tetrabutylammonium perchlorate1923-70-248 % similar Tetrabutylammonium chloride1112-67-048 % similar Tetrabutylammonium bromide1643-19-248 % similar Tetrabutylammonium hydroxide2052-49-548 % similar Tetra-N-butylammonium iodide311-28-448 % similar Tetrabutylammonium borohydride33725-74-548 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook