chempirical

(Cyclopropylmethyl)triphenylphosphonium bromide

C22H22BrPCAS 14799-82-7397.30 g/mol

Open in Covalent MOL file
Br−P+

Properties

Molecular formula
C22H22BrP
Molar mass
397.30 g/mol
Exact mass
396.0643 Da
Melting point
175–177 °C
logP
1.39Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
5

Identifiers

CAS number
14799-82-7
SMILES
[Br-].c1ccc([P+](CC2CC2)(c2ccccc2)c2ccccc2)cc1
InChIKey
WFQSHRSBITUSIB-UHFFFAOYSA-M
InChI
InChI=1S/C22H22P.BrH/c1-4-10-20(11-5-1)23(18-19-16-17-19,21-12-6-2-7-13-21)22-14-8-3-9-15-22;/h1-15,19H,16-18H2;1H/q+1;/p-1

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Names and synonyms

2 names
  • Phosphonium, (cyclopropylmethyl)triphenyl-, bromide (1:1)
  • Phosphonium, (cyclopropylmethyl)triphenyl-, bromide

Work with (Cyclopropylmethyl)triphenylphosphonium 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

Isobutyltriphenylphosphonium bromide22884-29-362 % similar (1,3-Dioxolan-2-ylmethyl)triphenylphosphonium bromide52509-14-558 % similar Ethylenebis[triphenylphosphonium bromide]1519-45-558 % similar Tetramethylenebis[triphenylphosphonium] dibromide15546-42-654 % similar Isopentyltriphenylphosphonium bromide28322-40-953 % similar Bromomethyltriphenylphosphonium bromide1034-49-752 % similar Cyclopropyltriphenylphosphonium bromide14114-05-752 % similar Benzyltriphenylphosphonium bromide1449-46-352 % similar

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

Elsewhere

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