[2-(Dimethylamino)ethyl]triphenylphosphonium bromide

C₂₂H₂₅BrNPCAS 21331-80-6414.33 g/mol

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Properties

Molecular formula: C₂₂H₂₅BrNP
Molar mass: 414.33 g/mol
Exact mass: 413.0908 Da
Melting point: 204–205 °C
logP: 0.55Crippen estimate
Polar surface area: 3.2 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 6

Identifiers

CAS number

21331-80-6

SMILES

CN(C)CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]

InChIKey

YIIHEMGEQQWSMA-UHFFFAOYSA-M

InChI

InChI=1S/C22H25NP.BrH/c1-23(2)18-19-24(20-12-6-3-7-13-20,21-14-8-4-9-15-21)22-16-10-5-11-17-22;/h3-17H,18-19H2,1-2H3;1H/q+1;/p-1

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Names and synonyms

2 names

Phosphonium, [2-(dimethylamino)ethyl]triphenyl-, bromide (1:1)
Phosphonium, [2-(dimethylamino)ethyl]triphenyl-, bromide

Work with [2-(Dimethylamino)ethyl]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

[3-(Dimethylamino)propyl]triphenylphosphonium bromide hydrobromide27710-82-373 % similar Ethylenebis[triphenylphosphonium bromide]1519-45-563 % similar Tetramethylenebis[triphenylphosphonium] dibromide15546-42-659 % similar Propyltriphenylphosphonium bromide6228-47-358 % similar Butyltriphenylphosphonium bromide1779-51-755 % similar Triphenyl(3-phenylpropyl)phosphonium bromide7484-37-953 % similar Pentyltriphenylphosphonium bromide21406-61-153 % similar Isopentyltriphenylphosphonium bromide28322-40-953 % similar

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

Elsewhere

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