chempirical

N-Ethyl-N-methylpyrrolidinium bromide

C7H16BrNCAS 69227-51-6194.12 g/mol

Open in Covalent MOL file
N+Br−
Quaternary ammonium

Properties

Molecular formula
C7H16BrN
Molar mass
194.12 g/mol
Exact mass
193.0466 Da
Melting point
106 °C
logP
-1.75Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
1

Identifiers

CAS number
69227-51-6
SMILES
CC[N+]1(C)CCCC1.[Br-]
InChIKey
KHJQQUGSPDBDRM-UHFFFAOYSA-M
InChI
InChI=1S/C7H16N.BrH/c1-3-8(2)6-4-5-7-8;/h3-7H2,1-2H3;1H/q+1;/p-1

Weigh it out

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

Names and synonyms

3 names
  • Pyrrolidinium, 1-ethyl-1-methyl-, bromide (1:1)
  • Pyrrolidinium, 1-ethyl-1-methyl-, bromide
  • 1-Ethyl-1-methylpyrrolidinium bromide

Work with N-Ethyl-N-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

1-Butyl-1-methylpyrrolidinium bromide93457-69-361 % similar Tributylmethylammonium bromide37026-88-357 % similar Cetyldimethylethylammonium bromide124-03-846 % similar Triethylmethylammonium chloride10052-47-845 % similar Decamethonium bromide541-22-043 % similar Hexamethonium bromide55-97-043 % similar Tetraethylammonium bromide71-91-043 % similar (1-Butyl)triethylammonium bromide13028-69-842 % similar

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

Elsewhere

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