chempirical

Benzyltriethylammonium hydroxide

C13H23NOCAS 1836-42-6209.33 g/mol

Open in Covalent MOL file
N+HO−
Quaternary ammonium

Properties

Molecular formula
C13H23NO
Molar mass
209.33 g/mol
Exact mass
209.1780 Da
logP
2.89Crippen estimate
Polar surface area
30.0 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
5

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
1836-42-6
SMILES
CC[N+](CC)(CC)Cc1ccccc1.[OH-]
InChIKey
FKPSBYZGRQJIMO-UHFFFAOYSA-M
InChI
InChI=1S/C13H22N.H2O/c1-4-14(5-2,6-3)12-13-10-8-7-9-11-13;/h7-11H,4-6,12H2,1-3H3;1H2/q+1;/p-1

Weigh it out

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

Names and synonyms

5 names
  • Benzenemethanaminium, N,N,N-triethyl-, hydroxide (1:1)
  • Ammonium, benzyltriethyl-, hydroxide
  • Benzenemethanaminium, N,N,N-triethyl-, hydroxide
  • Triethylbenzylammonium hydroxide
  • N-Benzyl-N,N-diethylethanaminium hydroxide

Work with Benzyltriethylammonium hydroxide

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.

Benzyl triethylammonium chloride56-37-1Salt Benzyltriethylammonium bromide5197-95-5Salt Benzyltriethylammonium tetrafluoroborate77794-93-5Salt

Similar compounds

Benzyltrimethylammonium hydroxide100-85-657 % similar Benzyltripropylammonium chloride5197-87-550 % similar Benzyltributylammonium chloride23616-79-747 % similar Benzyltributylammonium bromide25316-59-047 % similar Tetraethylammonium hydroxide77-98-546 % similar Benzyltrimethylammonium iodide4525-46-642 % similar Benzyltrimethylammonium bromide5350-41-442 % similar Benzyltrimethylammonium chloride56-93-942 % similar

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

Elsewhere

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