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Molecule
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 Mass
- 71.09 g/mol
Identifiers
CAS Registry Number
16941-10-9
SMILES
[Al-].[Ca+2].[H].[H].[H].[H]
InChI Key
HKUFUYBJYZTSLM-UHFFFAOYSA-N
InChI
InChI=1S/Al.Ca.4H/q-1;+2;;;;
Names and Synonyms
- Aluminate(1-), Tetrahydro-, Calcium (2:1), (T-4)- Systematic Name
- Aluminate(1-), tetrahydro-, calcium (2:1), (T-4)- Synonym
- Calcium bis(tetrahydroaluminate) Synonym
- Calcium bis[tetrahydroaluminate(1-)] Synonym
- Calcium aluminum hydride Synonym
- Aluminate(1-), tetrahydro-, calcium Synonym
- Calcium tetrahydroaluminate Synonym
- Aluminum calcium hydride Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 71.09 g/mol | CAS Common Chemistry |
| 71.09199999999998 g/mol | RDKit | |
| 71.092 g/mol | RDKit | |
| 77.14 g/mol | chempirical lib | |
| Canonical SMILES | [Ca+2].[H-][Al+3]([H-])([H-])[H-] | CAS Common Chemistry |
| InChI | InChI=1S/Al.Ca.4H/q-1;+2;;;; | CAS Common Chemistry |
| InChI Key | InChIKey=HKUFUYBJYZTSLM-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Aluminate(1-), tetrahydro-, calcium (2:1), (T-4)- | CAS Common Chemistry |
| Heavy Atom Count | 2 | 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 | -0.3116 | RDKit |
| Molar Refractivity | 15.956 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 1 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 70.97488115809 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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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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MW = 71.09 g/mol. Edit any field — others recompute live.
