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Aluminate(1-), Tetrahydro-, Calcium (2:1), (T-4)-
CAS: 16941-10-9 | H4AlCa+
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
16941-10-9
Molecular Formula:
H4AlCa+
Molecular Weight:
71.09199999999998 g/mol
Names and Synonyms:
Aluminate(1-), Tetrahydro-, Calcium (2:1), (T-4)-
Common Name
Aluminum calcium hydride
Synonym
Calcium tetrahydroaluminate
Synonym
Aluminate(1-), tetrahydro-, calcium
Synonym
Calcium aluminum hydride
Synonym
Calcium bis[tetrahydroaluminate(1-)]
Synonym
Calcium bis(tetrahydroaluminate)
Synonym
Aluminate(1-), tetrahydro-, calcium (2:1), (T-4)-
Synonym
Identifiers:
SMILES:
[Al-].[Ca+2].[H].[H].[H].[H]
InChI:
InChI=1S/Al.Ca.4H/q-1;+2;;;;
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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 71.09199999999998 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 70.97488115809 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 |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | -0.3116 | RDKit |
| molecular_mass | 71.09 g/mol | Legacy Database |
| cas-canonical-smile | [Ca+2].[H-][Al+3]([H-])([H-])[H-] None | Legacy Database |
| cas-inchi | InChI=1S/Al.Ca.4H/q-1;+2;;;; None | Legacy Database |
| cas-inchi-key | InChIKey=HKUFUYBJYZTSLM-UHFFFAOYSA-N None | Legacy Database |
| cas-name | Aluminate(1-), tetrahydro-, calcium (2:1), (T-4)- None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 15.956 | RDKit |