chempirical

Tetradecyltriphenylphosphonium bromide

C32H44BrPCAS 25791-20-2539.58 g/mol

Open in Covalent MOL file
P+Br−

Properties

Molecular formula
C32H44BrP
Molar mass
539.58 g/mol
Exact mass
538.2364 Da
Melting point
97 °C
logP
5.69Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
16

Identifiers

CAS number
25791-20-2
SMILES
CCCCCCCCCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]
InChIKey
FUMBGFNGBMYHGH-UHFFFAOYSA-M
InChI
InChI=1S/C32H44P.BrH/c1-2-3-4-5-6-7-8-9-10-11-12-22-29-33(30-23-16-13-17-24-30,31-25-18-14-19-26-31)32-27-20-15-21-28-32;/h13-21,23-28H,2-12,22,29H2,1H3;1H/q+1;/p-1

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

Names and synonyms

5 names
  • Phosphonium, triphenyltetradecyl-, bromide (1:1)
  • Phosphonium, triphenyltetradecyl-, bromide
  • Triphenyltetradecylphosphonium bromide
  • TDTPPB
  • Myristyltriphenyl phosphonium bromide

Work with Tetradecyltriphenylphosphonium 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 Decyltriphenylphosphonium bromide32339-43-8100 % 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