chempirical

Dodecylpyridinium bromide

C17H30BrNCAS 104-73-4328.34 g/mol

Open in Covalent MOL file
N+Br−

Properties

Molecular formula
C17H30BrN
Molar mass
328.34 g/mol
Exact mass
327.1562 Da
Melting point
89–90 °C
logP
1.90Crippen estimate
Polar surface area
3.9 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
11

Identifiers

CAS number
104-73-4
SMILES
CCCCCCCCCCCC[n+]1ccccc1.[Br-]
InChIKey
PNXWPUCNFMVBBK-UHFFFAOYSA-M
InChI
InChI=1S/C17H30N.BrH/c1-2-3-4-5-6-7-8-9-10-12-15-18-16-13-11-14-17-18;/h11,13-14,16-17H,2-10,12,15H2,1H3;1H/q+1;/p-1

Weigh it out

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

Names and synonyms

10 names
  • Pyridinium, 1-dodecyl-, bromide (1:1)
  • Pyridinium, 1-dodecyl-, bromide
  • 1-Dodecylpyridinium bromide
  • Isothan Q 4
  • Laurosept
  • Laurylpyridinium bromide
  • N-Laurylpyridinium bromide
  • DPB
  • N-Dodecylpyridinium bromide
  • 1-Dodecylpyridin-1-iumbromide

Work with Dodecylpyridinium 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

Cetylpyridinium bromide140-72-7100 % similar Octylpyridinium bromide2534-66-9100 % 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

Elsewhere

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