Tetrabutylammonium fluoride trihydrate

C₁₆H₄₂FNO₃CAS 87749-50-6315.51 g/mol

Open in Covalent MOL file

Quaternary ammonium

Properties

Molecular formula: C₁₆H₄₂FNO₃
Molar mass: 315.51 g/mol
Exact mass: 315.3149 Da
logP: -0.47Crippen estimate
Polar surface area: 94.5 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 12

Hazards

Danger

H314 Causes severe skin burns and eye damage94.5% of notifiers
H318 Causes serious eye damage71.3% of notifiers

Aggregated from 164 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, P501

Identifiers

CAS number

87749-50-6

SMILES

CCCC[N+](CCCC)(CCCC)CCCC.O.O.O.[F-]

InChIKey

VEPTXBCIDSFGBF-UHFFFAOYSA-M

InChI

InChI=1S/C16H36N.FH.3H2O/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;;;;/h5-16H2,1-4H3;1H;3*1H2/q+1;;;;/p-1

Weigh it out

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

Names and synonyms

2 names

1-Butanaminium, N,N,N-tributyl-, fluoride, hydrate (1:1:3)
1-Butanaminium, N,N,N-tributyl-, fluoride, trihydrate

Work with Tetrabutylammonium fluoride trihydrate

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.

Tetra-n-butylammonium fluoride429-41-4Anhydrous Tetra-n-butylammonium iodide311-28-4Salt Tetrabutylammonium bromide1643-19-2Salt Tetrabutylammonium chloride1112-67-0Salt 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

N,N,N-Tripropylpropan-1-aminium fluoride7217-93-857 % similar Tetrapentylammonium iodide2498-20-650 % similar Tetrapentylammonium chloride4965-17-750 % similar Tetraoctylammonium bromide14866-33-248 % similar Tetradecylammonium bromide14937-42-948 % similar Tetrahexylammonium iodide2138-24-148 % similar Tetraheptylammonium iodide3535-83-948 % similar Tetrahexylammonium bromide4328-13-648 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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