chempirical

Propyltriphenylphosphonium bromide

C21H22BrPCAS 6228-47-3385.28 g/mol

Open in Covalent MOL file
P+Br−

Properties

Molecular formula
C21H22BrP
Molar mass
385.28 g/mol
Exact mass
384.0643 Da
Melting point
229–230 °C
logP
1.39Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
5

Identifiers

CAS number
6228-47-3
SMILES
CCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]
InChIKey
XMQSELBBYSAURN-UHFFFAOYSA-M
InChI
InChI=1S/C21H22P.BrH/c1-2-18-22(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21;/h3-17H,2,18H2,1H3;1H/q+1;/p-1

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

Names and synonyms

6 names
  • Phosphonium, triphenylpropyl-, bromide (1:1)
  • Phosphonium, triphenylpropyl-, bromide
  • Triphenylpropylphosphonium bromide
  • n-Propyltriphenylphosphonium bromide
  • NSC 50539
  • Bromo(propyl)triphenylphosphorane

Work with Propyltriphenylphosphonium bromide

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

Triphenylpropylphosphonium15912-75-187 % similar Butyltriphenylphosphonium bromide1779-51-778 % similar Pentyltriphenylphosphonium bromide21406-61-175 % similar Heptyltriphenylphosphonium bromide13423-48-872 % similar Hexadecyltriphenylphosphonium bromide14866-43-472 % similar Dodecyltriphenylphosphonium bromide15510-55-172 % similar Tetradecyltriphenylphosphonium bromide25791-20-272 % similar Decyltriphenylphosphonium bromide32339-43-872 % similar

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

Elsewhere

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