chempirical

1-Butyl-1-methylpyrrolidinium bromide

C9H20BrNCAS 93457-69-3222.17 g/mol

Open in Covalent MOL file
N+Br−
Quaternary ammonium

Properties

Molecular formula
C9H20BrN
Molar mass
222.17 g/mol
Exact mass
221.0779 Da
Melting point
215 °C
logP
-0.97Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
3

Identifiers

CAS number
93457-69-3
SMILES
CCCC[N+]1(C)CCCC1.[Br-]
InChIKey
LCZRPQGSMFXSTC-UHFFFAOYSA-M
InChI
InChI=1S/C9H20N.BrH/c1-3-4-7-10(2)8-5-6-9-10;/h3-9H2,1-2H3;1H/q+1;/p-1

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Names and synonyms

4 names
  • Pyrrolidinium, 1-butyl-1-methyl-, bromide (1:1)
  • Pyrrolidinium, 1-butyl-1-methyl-, bromide
  • N-Butyl-N-methylpyrrolidinium bromide
  • N-Methyl-N-butylpyrrolidinium bromide

Work with 1-Butyl-1-methylpyrrolidinium 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

Tributylmethylammonium bromide37026-88-395 % similar Methyltributylammonium chloride56375-79-268 % similar Trioctylmethylammonium chloride5137-55-363 % similar Tridodecylmethylammonium chloride7173-54-863 % similar N-Ethyl-N-methylpyrrolidinium bromide69227-51-661 % similar Tetrabutylammonium bromide1643-19-259 % similar Dodecyltrimethylammonium bromide1119-94-456 % similar Tetradecyltrimethylammonium bromide1119-97-756 % similar

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

Elsewhere

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