chempirical

Tetra-N-butylammonium iodide

C16H36INCAS 311-28-4369.38 g/mol

Open in Covalent MOL file
N+I−
Quaternary ammonium

Properties

Molecular formula
C16H36IN
Molar mass
369.38 g/mol
Exact mass
369.1892 Da
Melting point
144–145 °C
logP
2.01Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
12

Identifiers

CAS number
311-28-4
SMILES
CCCC[N+](CCCC)(CCCC)CCCC.[I-]
InChIKey
DPKBAXPHAYBPRL-UHFFFAOYSA-M
InChI
InChI=1S/C16H36N.HI/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;/h5-16H2,1-4H3;1H/q+1;/p-1

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

Names and synonyms

4 names
  • 1-Butanaminium, N,N,N-tributyl-, iodide (1:1)
  • Ammonium, tetrabutyl-, iodide
  • Tetrabutylammonium iodide
  • 1-Butanaminium, N,N,N-tributyl-, iodide

Work with Tetra-N-butylammonium iodide

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

Tetrapentylammonium iodide2498-20-683 % similar Tetrahexylammonium iodide2138-24-179 % similar Tetraheptylammonium iodide3535-83-979 % similar Tetrabutylammonium chloride1112-67-068 % similar Tetrabutylammonium bromide1643-19-268 % similar Tetrabutylammonium hydroxide2052-49-568 % similar Tetrabutylammonium borohydride33725-74-568 % similar Tetra-N-butylammonium fluoride429-41-468 % similar

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

Elsewhere

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