Tetrabutylammonium chloride

C16H36ClNCAS 1112-67-0277.92 g/mol

Open in Covalent MOL file
N+Cl−
Quaternary ammonium

Properties

Molecular formula
C16H36ClN
Molar mass
277.92 g/mol
Exact mass
277.2536 Da
Melting point
52–54 °C
logP
2.01Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
12

Hazards

Warning
Irritant (GHS07)

Aggregated from 107 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
1112-67-0
SMILES
CCCC[N+](CCCC)(CCCC)CCCC.[Cl-]
InChIKey
NHGXDBSUJJNIRV-UHFFFAOYSA-M
InChI
InChI=1S/C16H36N.ClH/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

Weigh it out

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

Names and synonyms

8 names
  • 1-Butanaminium, N,N,N-tributyl-, chloride (1:1)
  • Ammonium, tetrabutyl-, chloride
  • 1-Butanaminium, N,N,N-tributyl-, chloride
  • N,N,N-Tributyl-1-butanaminium chloride
  • Tetra-n-butylammonium chloride
  • TBAC
  • TBAC 100
  • TBACl

Work with Tetrabutylammonium chloride

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.

Tetrabutyl ammonium chloride hydrate37451-68-6Hydrate Tetra-n-butylammonium iodide311-28-4Salt Tetra-n-butylammonium fluoride429-41-4Salt Tetrabutylammonium bromide1643-19-2Salt Tetrabutylammonium hexafluorophosphate3109-63-5Salt Tetrabutylammonium hydroxide2052-49-5Salt Tetrabutylammonium tribromide38932-80-8Salt Tetrabutylammonium tetrafluoroborate429-42-5Salt Tetrabutylammonium borohydride33725-74-5Salt Tetrabutylammonium hydrogen sulfate32503-27-8Salt Tetrabutylammonium perchlorate1923-70-2Salt Tetrabutylammonium acetate10534-59-5Salt

Similar compounds

Tetrapentylammonium chloride4965-17-783 % similar Tetrapropylammonium chloride5810-42-467 % similar Methyltributylammonium chloride56375-79-262 % similar Tetrapentylammonium iodide2498-20-657 % similar Tetraoctylammonium bromide14866-33-255 % similar Tetradecylammonium bromide14937-42-955 % similar Tetrahexylammonium iodide2138-24-155 % similar Tetraheptylammonium iodide3535-83-955 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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