1-Butyl-1-methylpyrrolidinium hexafluorophosphate

C₉H₂₀F₆NPCAS 330671-29-9287.23 g/mol

Open in Covalent MOL file

Quaternary ammonium

Properties

Molecular formula: C₉H₂₀F₆NP
Molar mass: 287.23 g/mol
Exact mass: 287.1238 Da
logP: 5.41Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 3

Hazards

Warning

H315 Causes skin irritation97.6% of notifiers
H319 Causes serious eye irritation97.6% of notifiers
H335 May cause respiratory irritation95.1% of notifiers

Aggregated from 41 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

330671-29-9

SMILES

CCCC[N+]1(CCCC1)C.F[P-](F)(F)(F)(F)F

InChIKey

HCGXEKKFZYYPFF-UHFFFAOYSA-N

InChI

InChI=1S/C9H20N.F6P/c1-3-4-7-10(2)8-5-6-9-10;1-7(2,3,4,5)6/h3-9H2,1-2H3;/q+1;-1

Weigh it out

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

Work with 1-Butyl-1-methylpyrrolidinium 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-1-methylpyrrolidinium bis(trifluoromethylsulfonyl)imide223437-11-4Salt 1-Butyl-1-methylpyrrolidinium bromide93457-69-3Salt

Similar compounds

Tetrabutylammonium hexafluorophosphate3109-63-564 % similar Tributylmethylammonium bromide37026-88-360 % similar Methyltributylammonium chloride56375-79-260 % similar Trioctylmethylammonium chloride5137-55-356 % similar Tridodecylmethylammonium chloride7173-54-856 % similar 1-Butyl-1-methylpiperidinium bis(trifluoromethylsulfonyl)imide623580-02-946 % similar Tributylmethylammonium bis(trifluoromethylsulfonyl)imide405514-94-544 % similar Methyltricaprylylammonium bisulfate59158-14-442 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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