chempirical

1-Propyl-3-methylimidazolium bromide

C7H13BrN2CAS 85100-76-1205.10 g/mol

Open in Covalent MOL file
NN+Br−

Properties

Molecular formula
C7H13BrN2
Molar mass
205.10 g/mol
Exact mass
204.0262 Da
Melting point
40.4 °C
logP
-2.27Crippen estimate
Polar surface area
8.8 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
2

Identifiers

CAS number
85100-76-1
SMILES
CCCn1cc[n+](C)c1.[Br-]
InChIKey
AJRFBXAXVLBZMP-UHFFFAOYSA-M
InChI
InChI=1S/C7H13N2.BrH/c1-3-4-9-6-5-8(2)7-9;/h5-7H,3-4H2,1-2H3;1H/q+1;/p-1

Weigh it out

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

Names and synonyms

6 names
  • 1H-Imidazolium, 1-methyl-3-propyl-, bromide (1:1)
  • 1H-Imidazolium, 1-methyl-3-propyl-, bromide
  • 1-Methyl-3-propyl-1H-imidazolium bromide
  • 3-Methyl-1-propylimidazolium bromide
  • 1-Methyl-3-propylimidazolium bromide
  • 1-n-Propyl-3-methylimidazolium bromide

Work with 1-Propyl-3-methylimidazolium 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-3-methylimidazolium bromide85100-77-280 % similar 1-Methyl-3-propylimidazolium iodide119171-18-579 % similar 1-Hexadecyl-3-methylimidazolium bromide132361-22-975 % similar 1-Ethyl-3-methylimidazolium bromide65039-08-967 % similar 1-Butyl-3-methylimidazolium chloride79917-90-164 % similar 1-Dodecyl-3-methyl-1H-imidazol-3-ium Chloride114569-84-560 % similar 1-Decyl-3-methylimidazolium chloride171058-18-760 % similar 1-Octyl-3-methylimidazolium chloride64697-40-160 % similar

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

Same formula

1-Ethyl-2,3-dimethylimidazolium bromide98892-76-3

Elsewhere

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