(2-(Dimethylamino)ethyl)triphenylphosphonium bromide

C22H25BrNPCAS 21331-80-6414.33 g/mol

Open in Covalent MOL file
NP+Br−
Tertiary amine

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 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
6

Hazards

Warning
Irritant (GHS07)

Aggregated from 43 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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

3 names
  • Phosphonium, [2-(dimethylamino)ethyl]triphenyl-, bromide (1:1)
  • Phosphonium, [2-(dimethylamino)ethyl]triphenyl-, bromide
  • [2-(Dimethylamino)ethyl]triphenylphosphonium 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 Ethane-1,2-diylbis(triphenylphosphonium) bromide1519-45-563 % similar Tetramethylenebis[triphenylphosphonium] dibromide15546-42-659 % similar Propyltriphenylphosphonium bromide6228-47-358 % similar Butyltriphenylphosphonium bromide1779-51-755 % similar (2-Hydroxyethyl)triphenylphosphonium bromide7237-34-553 % similar Triphenyl(3-phenylpropyl)phosphonium bromide7484-37-953 % similar Pentyltriphenylphosphonium bromide21406-61-153 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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