chempirical

Bromotris(dimethylamino)phosphonium hexafluorophosphate

C6H18BrF6N3P2CAS 50296-37-2388.07 g/mol

Open in Covalent MOL file
NP+NNBrFP−FFFFF
Tertiary amine

Properties

Molecular formula
C6H18BrF6N3P2
Molar mass
388.07 g/mol
Exact mass
387.0064 Da
logP
5.13Crippen estimate
Polar surface area
9.7 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
3

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
50296-37-2
SMILES
CN(C)[P+](N(C)C)(N(C)C)Br.F[P-](F)(F)(F)(F)F
InChIKey
XELPBWPBGHCIKX-UHFFFAOYSA-N
InChI
InChI=1S/C6H18BrN3P.F6P/c1-8(2)11(7,9(3)4)10(5)6;1-7(2,3,4,5)6/h1-6H3;/q+1;-1

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Work with Bromotris(dimethylamino)phosphonium 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

Similar compounds

PyBroP132705-51-246 % similar Tetramethylfluoroformamidinium hexafluorophosphate164298-23-133 % similar Hexafluorophosphoric acid16940-81-133 % similar Tetramethylammonium hexafluorophosphate558-32-732 % similar 1,3-Dimethyl-2-fluoroimidazolium hexafluorophosphate164298-27-530 % similar Ammonium hexafluorophosphate16941-11-030 % similar

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

Elsewhere

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