chempirical

Pentyltriphenylphosphonium bromide

C23H26BrPCAS 21406-61-1413.34 g/mol

Open in Covalent MOL file
P+Br−

Properties

Molecular formula
C23H26BrP
Molar mass
413.34 g/mol
Exact mass
412.0956 Da
Melting point
165–167.5 °C
logP
2.17Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
7

Identifiers

CAS number
21406-61-1
SMILES
CCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]
InChIKey
VAUKWMSXUKODHR-UHFFFAOYSA-M
InChI
InChI=1S/C23H26P.BrH/c1-2-3-13-20-24(21-14-7-4-8-15-21,22-16-9-5-10-17-22)23-18-11-6-12-19-23;/h4-12,14-19H,2-3,13,20H2,1H3;1H/q+1;/p-1

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Names and synonyms

4 names
  • Phosphonium, pentyltriphenyl-, bromide (1:1)
  • Phosphonium, pentyltriphenyl-, bromide
  • Amyltriphenylphosphonium bromide
  • Bromo(pentyl)triphenylphosphorane

Work with Pentyltriphenylphosphonium 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 bromide13423-48-896 % similar Hexadecyltriphenylphosphonium bromide14866-43-496 % similar Dodecyltriphenylphosphonium bromide15510-55-196 % similar Tetradecyltriphenylphosphonium bromide25791-20-296 % similar Decyltriphenylphosphonium bromide32339-43-896 % similar Octyltriphenylphosphonium bromide42036-78-296 % similar Hexyltriphenylphosphonium bromide4762-26-996 % similar Butyltriphenylphosphonium bromide1779-51-789 % similar

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

Same formula

Isopentyltriphenylphosphonium bromide28322-40-9

Elsewhere

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