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Lithium Tetradeuteroaluminate
CAS: 14128-54-2 | H4AlLi
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
14128-54-2
Molecular Formula:
H4AlLi
Molecular Weight:
41.979407112000004 g/mol
Names and Synonyms:
Lithium Tetradeuteroaluminate
Aluminate(1-), tetrahydro-d4-, lithium (1:1), (T-4)-
Aluminate(1-), tetrahydro-d4-, lithium
Aluminate(1-), tetrahydro-d4-, lithium, (T-4)-
Aluminum lithium hydride (LiAlD4)
Lithium aluminum deuteride
Lithium aluminum tetradeuteride
Lithium tetrahydroaluminate-d4(1-)
Lithium aluminum hydride-d4
Lithium tetradeuteroaluminate
Lithium aluminum deuteride (LiAlD4)
Lithium tetradeuterioaluminate
Lithium tetradeuteroaluminate(1-)
Lithium aluminium deuteride
Lithium tetrahydro-d4-aluminate
Aluminum lithium hydride AlLiH4-d4
Aluminum lithium hydride (AlLiD4)
Identifiers:
SMILES:
[2H].[2H].[2H].[2H].[Al-].[Li+]
InChI:
InChI=1S/Al.Li.4H/q-1;+1;;;;/i;;4*1+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 | 41.98 g/mol | Legacy Database |
| cas-canonical-smile | [Li+].[H-][Al+3]([H-])([H-])[H-] None | Legacy Database |
| cas-inchi | InChI=1S/Al.Li.4H/q-1;+1;;;;/i;;4*1+1 None | Legacy Database |
| cas-inchi-key | InChIKey=OCZDCIYGECBNKL-HGZFDWPVSA-N None | Legacy Database |
| cas-name | Lithium tetradeuteroaluminate None | Legacy Database |
| LogP | -2.9268 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 41.979407112000004 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 42.053950291999996 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 2 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 |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 10.202 | RDKit |
