1-Butyl-4-methylpyridinium hexafluorophosphate

C10H16F6NPCAS 401788-99-6295.21 g/mol

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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

Hazards

Warning
Irritant (GHS07)

Aggregated from 45 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
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

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.

N-Butyl-4-methylpyridinium chloride112400-86-9Salt 1-Butyl-4-methylpyridinium bromide65350-59-6Salt 1-Butyl-4-methylpyridinium tetrafluoroborate343952-33-0Salt

Similar compounds

1-Butylpyridinium hexafluorophosphate186088-50-665 % similar 3-Methyl-N-butylpyridinium chloride125652-55-350 % similar 1-Butyl-3-methylpyridinium bromide26576-85-250 % similar 1-Butylpyridinium tetrafluoroborate203389-28-044 % similar 1,1′-Diheptyl-4,4′-bipyridinium dibromide6159-05-344 % similar Butylpyridinium chloride1124-64-744 % similar 1-Butylpyridinium bromide874-80-644 % similar 1-Butyl-2,3-dimethylimidazolium hexafluorophosphate227617-70-142 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

N-Butyl-3-methylpyridinium hexafluorophosphate845835-03-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook