[3-(Dimethylamino)propyl]triphenylphosphonium bromide hydrobromide

C23H28Br2NPCAS 27710-82-3509.27 g/mol

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HBrNP+Br−
Tertiary amine

Properties

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

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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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

3 names
  • Phosphonium, [3-(dimethylamino)propyl]triphenyl-, bromide, hydrobromide (1:1:1)
  • Phosphonium, [3-(dimethylamino)propyl]triphenyl-, bromide, hydrobromide
  • (3-(Dimethylamino)propyl)triphenylphosphonium 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 Ethane-1,2-diylbis(triphenylphosphonium) bromide1519-45-553 % 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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