chempirical

Trimethylpropylammonium bromide

C6H16BrNCAS 2650-50-2182.10 g/mol

Open in Covalent MOL file
N+Br−
Quaternary ammonium

Properties

Molecular formula
C6H16BrN
Molar mass
182.10 g/mol
Exact mass
181.0466 Da
Melting point
242.5–243 °C
logP
-1.89Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
2

Identifiers

CAS number
2650-50-2
SMILES
CCC[N+](C)(C)C.[Br-]
InChIKey
FCGQIZKUTMUWDC-UHFFFAOYSA-M
InChI
InChI=1S/C6H16N.BrH/c1-5-6-7(2,3)4;/h5-6H2,1-4H3;1H/q+1;/p-1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

5 names
  • 1-Propanaminium, N,N,N-trimethyl-, bromide (1:1)
  • Ammonium, trimethylpropyl-, bromide
  • 1-Propanaminium, N,N,N-trimethyl-, bromide
  • Propyltrimethylammonium bromide
  • N,N,N-Trimethyl-N-propylammonium bromide

Work with Trimethylpropylammonium 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

Dodecyltrimethylammonium bromide1119-94-464 % similar Tetradecyltrimethylammonium bromide1119-97-764 % similar Octadecyltrimethylammonium bromide1120-02-164 % similar Decyltrimethylammonium bromide2082-84-064 % similar Octyltrimethylammonium bromide2083-68-364 % similar Cetrimonium bromide57-09-064 % similar Tetrapropylammonium bromide1941-30-658 % similar Decamethonium bromide541-22-055 % similar

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

Same formula

Triethylammonium bromide636-70-4

Elsewhere

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