CAS 304680-36-2 | 1H-Imidazolium, 1-methyl-3-octyl-, hexafluorophosphate(1-) (1:1) | CAS Number 304680-36-2

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304680-36-2 | 1H-Imidazolium, 1-methyl-3-octyl-, hexafluorophosphate(1-) (1:1)

CAS No: 304680-36-2 Catalog No: AG00307Y MDL No:MFCD03427617

Product Description

Catalog Number:

AG00307Y

Chemical Name:

1H-Imidazolium, 1-methyl-3-octyl-, hexafluorophosphate(1-) (1:1)

CAS Number:

304680-36-2

Molecular Formula:

C12H23F6N2P

Molecular Weight:

340.2886

MDL Number:

MFCD03427617

IUPAC Name:

1-methyl-3-octylimidazol-1-ium;hexafluorophosphate

InChI:

InChI=1S/C12H23N2.F6P/c1-3-4-5-6-7-8-9-14-11-10-13(2)12-14;1-7(2,3,4,5)6/h10-12H,3-9H2,1-2H3;/q+1;-1

InChI Key:

GRCIJNHHTXBJAK-UHFFFAOYSA-N

SMILES:

F[P-](F)(F)(F)(F)F.CCCCCCCC[n+]1ccn(c1)C

Properties

Complexity:

199

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

340.15g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

340.294g/mol

Monoisotopic Mass:

340.15g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

8.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

Literature

Title	Journal
Spin exchange in solutions of TEMPOL in n-octanol and 1-methyl-3-octylimidazolium hexafluorophosphate in the temperature range from 300 to 500 K.	The journal of physical chemistry. A 20110414
A profile of the in vitro anti-tumor activity of imidazolium-based ionic liquids.	Bioorganic & medicinal chemistry letters 20100115