chempirical

Decyltriphenylphosphonium bromide

C28H36BrPCAS 32339-43-8483.47 g/mol

Open in Covalent MOL file
P+Br−

Properties

Molecular formula
C28H36BrP
Molar mass
483.47 g/mol
Exact mass
482.1738 Da
logP
4.13Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
12

Identifiers

CAS number
32339-43-8
SMILES
CCCCCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]
InChIKey
GVPLMQGXUUHCSB-UHFFFAOYSA-M
InChI
InChI=1S/C28H36P.BrH/c1-2-3-4-5-6-7-8-18-25-29(26-19-12-9-13-20-26,27-21-14-10-15-22-27)28-23-16-11-17-24-28;/h9-17,19-24H,2-8,18,25H2,1H3;1H/q+1;/p-1

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Names and synonyms

3 names
  • Phosphonium, decyltriphenyl-, bromide (1:1)
  • Phosphonium, decyltriphenyl-, bromide
  • n-Decyltriphenylphosphonium bromide

Work with Decyltriphenylphosphonium 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

Heptyltriphenylphosphonium bromide13423-48-8100 % similar Hexadecyltriphenylphosphonium bromide14866-43-4100 % similar Dodecyltriphenylphosphonium bromide15510-55-1100 % similar Tetradecyltriphenylphosphonium bromide25791-20-2100 % similar Octyltriphenylphosphonium bromide42036-78-2100 % similar Hexyltriphenylphosphonium bromide4762-26-9100 % similar Pentyltriphenylphosphonium bromide21406-61-196 % similar Butyltriphenylphosphonium bromide1779-51-786 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook