Tetrabutylammonium dihydrogen phosphate

C16H38NO4PCAS 5574-97-0339.46 g/mol

Open in Covalent MOL file
N+OPO−OHHO
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

Hazards

Warning
Irritant (GHS07)

Aggregated from 12 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364

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

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.

Tetra-n-butylammonium iodide311-28-4Salt Tetra-n-butylammonium fluoride429-41-4Salt Tetrabutylammonium bromide1643-19-2Salt Tetrabutylammonium chloride1112-67-0Salt Tetrabutylammonium hexafluorophosphate3109-63-5Salt Tetrabutylammonium hydroxide2052-49-5Salt Tetrabutylammonium tribromide38932-80-8Salt Tetrabutylammonium tetrafluoroborate429-42-5Salt Tetrabutylammonium borohydride33725-74-5Salt Tetrabutylammonium hydrogen sulfate32503-27-8Salt Tetrabutylammonium perchlorate1923-70-2Salt Tetrabutylammonium acetate10534-59-5Salt

Similar compounds

Tetrahexylammonium hydrogen sulfate32503-34-742 % similar Tetrapentylammonium iodide2498-20-641 % similar Tetrapentylammonium chloride4965-17-741 % similar Lithium dihydrogen phosphate13453-80-041 % similar Monosodium phosphate7558-80-741 % similar Monopotassium phosphate7778-77-041 % similar Monosodium phosphate89140-32-941 % similar Tetraoctylammonium bromide14866-33-240 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook