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Tetraethylammonium Hydroxide
CAS: 77-98-5 | C8H21NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
77-98-5
Molecular Formula:
C8H21NO
Molecular Weight:
147.262 g/mol
Names and Synonyms:
Tetraethylammonium Hydroxide
Ethanaminium, N,N,N-triethyl-, hydroxide (1:1)
Ammonium, tetraethyl-, hydroxide
Tetraethylammonium hydroxide
Ethanaminium, N,N,N-triethyl-, hydroxide
TEAH 40W
EAH 20
Identifiers:
SMILES:
CC[N+](CC)(CC)CC.[OH-]
InChI:
InChI=1S/C8H20N.H2O/c1-5-9(6-2,7-3)8-4;/h5-8H2,1-4H3;1H2/q+1;/p-1
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 147.26 g/mol | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Tetraethylammonium_hydroxide None | Legacy Database |
| cas-canonical-smile | [OH-].CC[N+](CC)(CC)CC None | Legacy Database |
| cas-inchi | InChI=1S/C8H20N.H2O/c1-5-9(6-2,7-3)8-4;/h5-8H2,1-4H3;1H2/q+1;/p-1 None | Legacy Database |
| cas-inchi-key | InChIKey=LRGJRHZIDJQFCL-UHFFFAOYSA-M None | Legacy Database |
| cas-name | Tetraethylammonium hydroxide None | Legacy Database |
| wikipedia-name | Tetraethylammonium hydroxide None | Legacy Database |
| LogP | 1.706 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 147.262 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 147.162314292 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 10 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 1 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 4 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 30.0 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 44.36020000000001 | RDKit |
