1-Hexadecyl-3-methylimidazolium bromide

C20H39BrN2CAS 132361-22-9387.45 g/mol

Open in Covalent MOL file
NN+Br−

Properties

Molecular formula
C20H39BrN2
Molar mass
387.45 g/mol
Exact mass
386.2297 Da
logP
2.80Crippen estimate
Polar surface area
8.8 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
15

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
132361-22-9
SMILES
CCCCCCCCCCCCCCCCN1C=C[N+](=C1)C.[Br-]
InChIKey
QPERNWXRUSFVPU-UHFFFAOYSA-M
InChI
InChI=1S/C20H39N2.BrH/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-19-18-21(2)20-22;/h18-20H,3-17H2,1-2H3;1H/q+1;/p-1

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Work with 1-Hexadecyl-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-Decyl-3-methylimidazolium bromide188589-32-4100 % similar 1-Tetradecyl-3-methylimidazolium bromide471907-87-6100 % similar 1-Methyl-3-N-octylimidazolium bromide61545-99-1100 % similar 1-Hexyl-3-methylimidazolium bromide85100-78-3100 % similar 1-Butyl-3-methylimidazolium bromide85100-77-287 % similar 1-Dodecyl-3-methyl-1H-imidazol-3-ium Chloride114569-84-582 % similar 1-Hexyl-3-methylimidazolium chloride171058-17-682 % similar 1-Decyl-3-methylimidazolium chloride171058-18-782 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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