1-Hexyl-3-methylimidazolium hexafluorophosphate

C₁₀H₁₉F₆N₂PCAS 304680-35-1312.24 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₀H₁₉F₆N₂P
Molar mass: 312.24 g/mol
Exact mass: 312.1190 Da
logP: 5.28Crippen estimate
Polar surface area: 8.8 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 5

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation95.7% of notifiers

Aggregated from 47 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

304680-35-1

SMILES

CCCCCCN1C=C[N+](=C1)C.F[P-](F)(F)(F)(F)F

InChIKey

YPWSSSRXUOQNMQ-UHFFFAOYSA-N

InChI

InChI=1S/C10H19N2.F6P/c1-3-4-5-6-7-12-9-8-11(2)10-12;1-7(2,3,4,5)6/h8-10H,3-7H2,1-2H3;/q+1;-1

Weigh it out

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

Work with 1-Hexyl-3-methylimidazolium 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-Hexyl-3-methylimidazolium bromide85100-78-3Salt 1-Hexyl-3-methylimidazolium tetrafluoroborate244193-50-8Salt 1-Hexyl-3-methylimidazolium trifluoromethanesulfonate460345-16-8Salt 1-Hexyl-3-methylimidazolium chloride171058-17-6Salt

Similar compounds

1-Octyl-3-methylimidazolium hexafluorophosphate304680-36-2100 % similar 1-Butyl-3-methylimidazolium hexafluorophosphate174501-64-588 % similar 1-Dodecyl-3-methyl-1H-imidazol-3-ium Chloride114569-84-575 % similar 1-Hexadecyl-3-methylimidazolium bromide132361-22-975 % similar 1-Decyl-3-methylimidazolium chloride171058-18-775 % similar 1-Decyl-3-methylimidazolium bromide188589-32-475 % similar 1-Tetradecyl-3-methylimidazolium bromide471907-87-675 % similar 1-Methyl-3-N-octylimidazolium bromide61545-99-175 % similar

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

Elsewhere

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