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Molecule
Triethylaluminium
CAS: 97-93-8 · C6H15Al
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 97-93-8
- Molecular Formula
- C6H15Al
- Molecular Mass
- 114.17 g/mol
Identifiers
CAS Registry Number
97-93-8
SMILES
[Al].[CH2]C.[CH2]C.[CH2]C
InChI Key
VOITXYVAKOUIBA-UHFFFAOYSA-N
InChI
InChI=1S/3C2H5.Al/c3*1-2;/h3*1H2,2H3;
Names and Synonyms
- Triethylaluminium Common Name
- Aluminum, triethyl- Synonym
- Triethylaluminum Synonym
- Triethylaluminium Synonym
- Triethylalane Synonym
- TEAL Synonym
- TEAL 2 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 114.17 g/mol | CAS Common Chemistry |
| 114.16799999999999 g/mol | RDKit | |
| 114.168 g/mol | RDKit | |
| 117.192 g/mol | chempirical lib | |
| Density | 0.83 g/cm³ | CAS Common Chemistry |
| 0.832 g/cm3 @ 25 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Triethylaluminium | CAS Common Chemistry |
| Boiling Point | 194 °C | CAS Common Chemistry |
| Canonical SMILES | [Al](CC)(CC)CC | CAS Common Chemistry |
| InChI | InChI=1S/3C2H5.Al/c3*1-2;/h3*1H2,2H3; | CAS Common Chemistry |
| InChI Key | InChIKey=VOITXYVAKOUIBA-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -52.5 °C | CAS Common Chemistry |
| Name | Triethylaluminum | CAS Common Chemistry |
| Heavy Atom Count | 7 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 2.14037 | RDKit |
| 2.1404 | RDKit | |
| Molar Refractivity | 38.847 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5 | RDKit |
| Exact Mass | 114.09891411 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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 |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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Quick conversion
MW = 114.17 g/mol; density = 0.830 g/mL. Edit any field — others recompute live.
