1-Propyl-3-methylimidazolium bromide

C7H13BrN2CAS 85100-76-1205.10 g/mol

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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

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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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

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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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

1-Methyl-3-propylimidazolium iodide119171-18-5Salt

Similar compounds

1-Butyl-3-methylimidazolium bromide85100-77-280 % similar 1-Hexadecyl-3-methylimidazolium bromide132361-22-975 % similar 1-Decyl-3-methylimidazolium bromide188589-32-475 % similar 1-Tetradecyl-3-methylimidazolium bromide471907-87-675 % similar 1-Methyl-3-N-octylimidazolium bromide61545-99-175 % similar 1-Hexyl-3-methylimidazolium bromide85100-78-375 % similar 1-Ethyl-3-methylimidazolium bromide65039-08-967 % similar 1-Butyl-3-methylimidazolium iodide65039-05-664 % 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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