chempirical

Octylpyridinium bromide

C13H22BrNCAS 2534-66-9272.23 g/mol

Open in Covalent MOL file
N+Br−

Properties

Molecular formula
C13H22BrN
Molar mass
272.23 g/mol
Exact mass
271.0936 Da
Melting point
28–30 °C
logP
0.34Crippen estimate
Polar surface area
3.9 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
7

Identifiers

CAS number
2534-66-9
SMILES
CCCCCCCC[n+]1ccccc1.[Br-]
InChIKey
LNKPCMOUFKLBCM-UHFFFAOYSA-M
InChI
InChI=1S/C13H22N.BrH/c1-2-3-4-5-6-8-11-14-12-9-7-10-13-14;/h7,9-10,12-13H,2-6,8,11H2,1H3;1H/q+1;/p-1

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

Names and synonyms

4 names
  • Pyridinium, 1-octyl-, bromide (1:1)
  • Pyridinium, 1-octyl-, bromide
  • 1-Octylpyridinium bromide
  • N-Octylpyridinium bromide

Work with Octylpyridinium 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

Dodecylpyridinium bromide104-73-4100 % similar Cetylpyridinium bromide140-72-7100 % similar Dodecylpyridinium chloride104-74-578 % similar Cetylpyridinium chloride123-03-578 % similar Tetradecylpyridinium chloride2785-54-878 % similar Cetylpyridinium chloride monohydrate6004-24-670 % similar 1,1′-Diheptyl-4,4′-bipyridinium dibromide6159-05-369 % similar Butylpyridinium chloride1124-64-764 % similar

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

Same formula

Benzyltriethylammonium bromide5197-95-5

Elsewhere

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