Benzyltriethylammonium tetrafluoroborate

C13H22BF4NCAS 77794-93-5279.13 g/mol

Open in Covalent MOL file
N+FB−FFF
Quaternary ammonium

Properties

Molecular formula
C13H22BF4N
Molar mass
279.13 g/mol
Exact mass
279.1781 Da
Melting point
114–115 °C
logP
4.36Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
5

Hazards

Warning
Irritant (GHS07)

Aggregated from 43 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
77794-93-5
SMILES
CC[N+](CC)(CC)Cc1ccccc1.F[B-](F)(F)F
InChIKey
KJWXXJMAQURGGG-UHFFFAOYSA-N
InChI
InChI=1S/C13H22N.BF4/c1-4-14(5-2,6-3)12-13-10-8-7-9-11-13;2-1(3,4)5/h7-11H,4-6,12H2,1-3H3;/q+1;-1

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Names and synonyms

3 names
  • Benzenemethanaminium, N,N,N-triethyl-, tetrafluoroborate(1-) (1:1)
  • Benzenemethanaminium, N,N,N-triethyl-, tetrafluoroborate(1-)
  • Borate(1-), tetrafluoro-, N,N,N-triethylbenzenemethanaminium

Work with Benzyltriethylammonium tetrafluoroborate

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.

Benzyltriethylammonium hydroxide1836-42-6Salt Benzyl triethylammonium chloride56-37-1Salt Benzyltriethylammonium bromide5197-95-5Salt

Similar compounds

Tetraethylammonium tetrafluoroborate429-06-152 % similar Benzyltripropylammonium chloride5197-87-546 % similar Benzyltributylammonium chloride23616-79-743 % similar Benzyltributylammonium bromide25316-59-043 % similar Triethylmethylammonium tetrafluoroborate69444-47-939 % similar Benzyltrimethylammonium hydroxide100-85-638 % similar Benzyltrimethylammonium iodide4525-46-638 % similar Benzyltrimethylammonium bromide5350-41-438 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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