[3-(Dimethylamino)propyl]triphenylphosphonium bromide hydrobromide

C₂₃H₂₈Br₂NPCAS 27710-82-3509.27 g/mol

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Properties

Molecular formula: C₂₃H₂₈Br₂NP
Molar mass: 509.27 g/mol
Exact mass: 507.0326 Da
logP: 1.51Crippen estimate
Polar surface area: 3.2 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 7

Identifiers

CAS number

27710-82-3

SMILES

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

InChIKey

NEQVFHFOWYYPBS-UHFFFAOYSA-M

InChI

InChI=1S/C23H27NP.2BrH/c1-24(2)19-12-20-25(21-13-6-3-7-14-21,22-15-8-4-9-16-22)23-17-10-5-11-18-23;;/h3-11,13-18H,12,19-20H2,1-2H3;2*1H/q+1;;/p-1

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Names and synonyms

2 names

Phosphonium, [3-(dimethylamino)propyl]triphenyl-, bromide, hydrobromide (1:1:1)
Phosphonium, [3-(dimethylamino)propyl]triphenyl-, bromide, hydrobromide

Work with [3-(Dimethylamino)propyl]triphenylphosphonium bromide hydrobromide

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

[2-(Dimethylamino)ethyl]triphenylphosphonium bromide21331-80-673 % similar Tetramethylenebis[triphenylphosphonium] dibromide15546-42-659 % similar Butyltriphenylphosphonium bromide1779-51-756 % similar Triphenyl(3-phenylpropyl)phosphonium bromide7484-37-954 % similar Pentyltriphenylphosphonium bromide21406-61-154 % similar Ethylenebis[triphenylphosphonium bromide]1519-45-553 % similar Heptyltriphenylphosphonium bromide13423-48-853 % similar Hexadecyltriphenylphosphonium bromide14866-43-453 % similar

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

Elsewhere

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