N-Butyl-3-methylpyridinium hexafluorophosphate

C₁₀H₁₆F₆NPCAS 845835-03-2295.21 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₀H₁₆F₆NP
Molar mass: 295.21 g/mol
Exact mass: 295.0925 Da
logP: 5.47Crippen estimate
Polar surface area: 3.9 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 3

Hazards

Not classified as hazardous under GHS. Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Identifiers

CAS number

845835-03-2

SMILES

CCCC[N+]1=CC=CC(=C1)C.F[P-](F)(F)(F)(F)F

InChIKey

XUZKQHMUEBPODI-UHFFFAOYSA-N

InChI

InChI=1S/C10H16N.F6P/c1-3-4-7-11-8-5-6-10(2)9-11;1-7(2,3,4,5)6/h5-6,8-9H,3-4,7H2,1-2H3;/q+1;-1

Weigh it out

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Names and synonyms

1 names

1-Butyl-3-methylpyridinium hexafluorophosphate

Work with N-Butyl-3-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.

1-Butyl-3-methylpyridinium bromide26576-85-2Salt 3-Methyl-N-butylpyridinium chloride125652-55-3Salt

Similar compounds

1-Butylpyridinium hexafluorophosphate186088-50-668 % similar N-Butyl-4-methylpyridinium chloride112400-86-953 % similar 1-Butyl-4-methylpyridinium bromide65350-59-653 % similar 1-Butyl-4-methylpyridinium tetrafluoroborate343952-33-053 % similar 1-Butylpyridinium tetrafluoroborate203389-28-049 % similar Butylpyridinium chloride1124-64-749 % similar 1-Butylpyridinium bromide874-80-649 % similar Dodecylpyridinium bromide104-73-443 % similar

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

Same formula

1-Butyl-4-methylpyridinium hexafluorophosphate401788-99-6

Elsewhere

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