chempirical

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

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

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

Similar compounds

Benzyltriethylammonium hydroxide1836-42-669 % similar Benzyltriethylammonium bromide5197-95-569 % similar Benzyltriethylammonium chloride56-37-169 % similar Tetraethylammonium tetrafluoroborate429-06-152 % similar Benzyltributylammonium chloride23616-79-743 % similar Benzyltributylammonium bromide25316-59-043 % similar Triethylmethylammonium tetrafluoroborate69444-47-939 % similar Benzyltrimethylammonium hydroxide100-85-638 % similar

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

Elsewhere

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