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Triethylaluminium
CAS: 97-93-8 | C6H15Al
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
97-93-8
Molecular Formula:
C6H15Al
Molecular Weight:
114.16799999999999 g/mol
Names and Synonyms:
Triethylaluminium
TEAL 2
TEAL
Triethylalane
Triethylaluminium
Triethylaluminum
Aluminum, triethyl-
Identifiers:
SMILES:
[Al].[CH2]C.[CH2]C.[CH2]C
InChI:
InChI=1S/3C2H5.Al/c3*1-2;/h3*1H2,2H3;
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
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5
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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 |
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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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 114.16799999999999 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 114.09891411 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 7 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 0 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 0 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 0.0 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 2.14037 | RDKit |
| cas-canonical-smile | [Al](CC)(CC)CC None | Legacy Database |
| molecular_mass | 114.17 g/mol | Legacy Database |
| density | 0.83 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Triethylaluminium None | Legacy Database |
| cas-boiling-point | 194 °C None | Legacy Database |
| cas-density | 0.832 g/cm3 @ Temp: 25 °C None | Legacy Database |
| cas-inchi | InChI=1S/3C2H5.Al/c3*1-2;/h3*1H2,2H3; None | Legacy Database |
| cas-inchi-key | InChIKey=VOITXYVAKOUIBA-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | -52.5 °C None | Legacy Database |
| cas-name | Triethylaluminum None | Legacy Database |
| wikipedia-name | Triethylaluminium None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 38.847 | RDKit |
