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Sodium Borodeuteride
CAS: 15681-89-7 | H4BNa
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
15681-89-7
Molecular Formula:
H4BNa
Molecular Weight:
41.858407111999995 g/mol
Names and Synonyms:
Sodium Borodeuteride
Synonym
Borate(1-), tetrahydro-d4-, sodium
Synonym
Sodium tetrahydro-d4-borate
Synonym
Sodium borodeuteride-d4
Synonym
Sodium borohydride-d4
Synonym
Sodium borodeuteride
Synonym
Sodium tetradeuterioborate
Synonym
Sodium tetradeuteroborate
Synonym
Sodium borohydride (NaBD4)
Synonym
Sodium tetradeuteroborate(1-)
Synonym
Sodium tetrahydroborate-d4
Synonym
Sodium tetradeuterioborate(1-)
Synonym
Identifiers:
SMILES:
[2H][B-]([2H])([2H])[2H].[Na+]
InChI:
InChI=1S/BH4.Na/h1H4;/q-1;+1/i1D4;
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 | 41.858407111999995 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 42.055481791999995 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 | -4.4476 | RDKit |
| molecular_mass | 41.86 g/mol | Legacy Database |
| cas-canonical-smile | [Na+].[H-][B+3]([H-])([H-])[H-] None | Legacy Database |
| cas-inchi | InChI=1S/BH4.Na/h1H4;/q-1;+1/i1D4; None | Legacy Database |
| cas-inchi-key | InChIKey=YOQDYZUWIQVZSF-XWFVQAFUSA-N None | Legacy Database |
| cas-name | Sodium borodeuteride None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 11.333999999999998 | RDKit |