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Benzyltriethylammonium

An aromatic compound, C13H22N+, 192.326 g/mol.

Organic — aromatic compound

Identifiers

Molecular formula
C₁₃H₂₂N+
Molecular weight
192.326 g/mol
Exact mass
192.174676 g/mol
SMILES
CC[N+](CC)(CC)Cc1ccccc1
InChI
InChI=1S/C13H22N/c1-4-14(5-2,6-3)12-13-10-8-7-9-11-13/h7-11H,4-6,12H2,1-3H3/q+1
InChIKey
VBQDSLGFSUGBBE-UHFFFAOYSA-N
Open in ReactionLensUse in reaction prediction

Calculated properties

Derived from the structure, not from a sample; kept apart from the measurements above.

logP
3.0631calculated · chemistry engine
Estimated preference for oil over water. Higher means more oil-like.
Topological polar surface area
0 Ųcalculated · chemistry engine
Surface area from polar atoms; relates to how easily a molecule crosses membranes.
H-bond donors
0calculated · chemistry engine
Atoms that can donate a hydrogen bond.
H-bond acceptors
0calculated · chemistry engine
Atoms that can accept a hydrogen bond.
Rotatable bonds
5calculated · chemistry engine
Single bonds the molecule can freely twist around.
Molar refractivity
62.0294 cm³/molcalculated · chemistry engine
Relates to the molecule's polarisability.
Fraction sp³ carbons
0.5385calculated · chemistry engine
Share of carbon atoms with tetrahedral bonding.
QED drug-likeness
0.629calculated · chemistry engine
Quantitative estimate of drug-likeness (0–1).

What it is made of

Elements

    Percentages are of the molecular weight above, worked out the same way the molar mass calculator does it.

    Structure

    Heavy atoms, hydrogen excluded
    14
    Total atoms, hydrogen included
    36
    Rings
    1
    Aromatic rings
    1
    Stereocentres
    0
    Formal charge
    1

    Functional groups

    • Aromatic ring

      A flat six-membered ring with delocalised electrons.

    Matched by structural pattern, not by a measurement.

    The molecule in three dimensions

    Rotate and inspect the atoms. Loaded only when you ask, so the page stays light.

    The drawing above is a diagram of what is bonded to what. A molecule is not flat, and the model here is one low-energy shape generated from the connectivity — useful for seeing which groups can reach each other, and not a measured structure. A real sample is a population of conformations, interconverting.

    Reactions it appears in

    No documented reaction with a written procedure and a source involves Benzyltriethylammonium yet.

    Other names for it

    No systematic name is recorded.

    The sources also call it Triethylbenzylammonium, Ammonium, benzyltriethyl-, benzyl(triethyl)azanium, N-Benzyl-N,N-Diethylethanaminium, BENZYLTRIETHYLAZANIUM, Benzenemethanaminium, N,N,N-triethyl-, BENZYL-TRIETHYL-AZANIUM, benzyl triethylammonium, BENZYLTRIETHYLAMMONIUM ION, BENZYLTRIETHYLAMMONIUM CATION.

    Structurally related

    Nothing structurally close to Benzyltriethylammonium has a page here yet.

    Seen alongside it in reaction records

    Molecules that appear in the same recorded reactions as Benzyltriethylammonium. This says nothing about structure: most of them are the bases, solvents, ligands and catalysts the chemistry needed, and they are here because somebody put them in the same flask.

    1,2-Dibromoethane

    used as a reactant

    C₂H₄Br₂, 187.862 g/mol.

    1,4-Dioxane

    used as a reactant

    C₄H₈O₂, 88.106 g/mol.

    (5-Cyclopropyl-2-nitro-4-trifluoromethyl-phenyl)-carbamic acid tert-butyl ester

    formed as a product

    C₁₅H₁₇F₃N₂O₄, 346.305 g/mol.

    (3,4-Dichlorophenyl)acetonitrile

    used as a reactant

    C₈H₅Cl₂N, 186.041 g/mol.

    1,1-Dichloro-2,2,3-triphenylcyclopropane

    formed as a product

    C₂₁H₁₆Cl₂, 339.265 g/mol.

    Where these values came from

    • chemistry engine

      structure perception

    No matching record was found in the currently indexed sources (reference compound database)..

    What this page does not claim

    Identifiers are copied from the source record, measured values are reported as published, and calculated values are marked as calculated. Nothing here is a hazard, purity or handling assessment — how the library is checked.

    Where to next

    More molecules under B

    The rest of this shelf, a hundred names at a time.

    Molar mass calculator

    Work with C13H22N+ in a calculation, with every element's contribution shown.

    Molarity calculator

    Grams of Benzyltriethylammonium for a volume and a concentration, or the concentration a mass gives.

    Open in ReactionLens

    The full record in the workstation: every atom, every bond, and the reactions it appears in.