chempirical

1-Butyl-4-methylpyridinium hexafluorophosphate

C10H16F6NPCAS 401788-99-6295.21 g/mol

Open in Covalent MOL file
N+FP−FFFFF

Properties

Molecular formula
C10H16F6NP
Molar mass
295.21 g/mol
Exact mass
295.0925 Da
logP
5.46Crippen estimate
Polar surface area
3.9 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
3

Identifiers

CAS number
401788-99-6
SMILES
CCCC[n+]1ccc(C)cc1.F[P-](F)(F)(F)(F)F
InChIKey
XBSZSSGZQFAUPF-UHFFFAOYSA-N
InChI
InChI=1S/C10H16N.F6P/c1-3-4-7-11-8-5-10(2)6-9-11;1-7(2,3,4,5)6/h5-6,8-9H,3-4,7H2,1-2H3;/q+1;-1

Weigh it out

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

Names and synonyms

3 names
  • Pyridinium, 1-butyl-4-methyl-, hexafluorophosphate(1-) (1:1)
  • Pyridinium, 1-butyl-4-methyl-, hexafluorophosphate(1-)
  • N-Butyl-4-methylpyridinium hexafluorophosphate

Work with 1-Butyl-4-methylpyridinium hexafluorophosphate

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

N-Butyl-4-methylpyridinium chloride112400-86-973 % similar 3-Methyl-N-butylpyridinium chloride125652-55-350 % similar 1,1′-Diheptyl-4,4′-bipyridinium dibromide6159-05-344 % similar Butylpyridinium chloride1124-64-744 % similar 4,4′-Dimethyldiphenyliodonium hexafluorophosphate60565-88-041 % similar Tetrabutylammonium hexafluorophosphate3109-63-539 % similar 1-Butyl-3-methylimidazolium hexafluorophosphate174501-64-538 % similar Dodecylpyridinium bromide104-73-438 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook