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C12H24BrF6N3P2CAS 132705-51-2466.19 g/mol

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NP+NNBrFP−FFFFF
Tertiary amine

Properties

Molecular formula
C12H24BrF6N3P2
Molar mass
466.19 g/mol
Exact mass
465.0533 Da
logP
6.73Crippen estimate
Polar surface area
9.7 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
3

Identifiers

CAS number
132705-51-2
SMILES
C1CCN(C1)[P+](N2CCCC2)(N3CCCC3)Br.F[P-](F)(F)(F)(F)F
InChIKey
CYKRMWNZYOIJCH-UHFFFAOYSA-N
InChI
InChI=1S/C12H24BrN3P.F6P/c13-17(14-7-1-2-8-14,15-9-3-4-10-15)16-11-5-6-12-16;1-7(2,3,4,5)6/h1-12H2;/q+1;-1

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Names and synonyms

1 names
  • Bromo-tris-pyrrolidino-phosphonium hexafluorophosphate

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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

Pybop128625-52-532 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook