1-Butylpyridinium hexafluorophosphate

C₉H₁₄F₆NPCAS 186088-50-6281.18 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₉H₁₄F₆NP
Molar mass: 281.18 g/mol
Exact mass: 281.0768 Da
logP: 5.16Crippen estimate
Polar surface area: 3.9 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 3

Hazards

Warning

H315 Causes skin irritation66.7% of notifiers
H319 Causes serious eye irritation66.7% of notifiers

Aggregated from 3 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

186088-50-6

SMILES

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

InChIKey

CTMFVASPBJWPFC-UHFFFAOYSA-N

InChI

InChI=1S/C9H14N.F6P/c1-2-3-7-10-8-5-4-6-9-10;1-7(2,3,4,5)6/h4-6,8-9H,2-3,7H2,1H3;/q+1;-1

Weigh it out

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

Work with 1-Butylpyridinium 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.

Butylpyridinium chloride1124-64-7Salt 1-Butylpyridinium bis(trifluoromethylsulfonyl)imide187863-42-9Salt 1-Butylpyridinium bromide874-80-6Salt 1-Butylpyridinium tetrafluoroborate203389-28-0Salt

Similar compounds

N-Butyl-3-methylpyridinium hexafluorophosphate845835-03-268 % similar 1-Butyl-4-methylpyridinium hexafluorophosphate401788-99-665 % similar Dodecylpyridinium bromide104-73-460 % similar Dodecylpyridinium chloride104-74-560 % similar Cetylpyridinium chloride123-03-560 % similar Cetylpyridinium bromide140-72-760 % similar Octylpyridinium bromide2534-66-960 % similar Tetradecylpyridinium chloride2785-54-860 % similar

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

Elsewhere

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