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Molecule
Sodium Borodeuteride
CAS: 15681-89-7 · H4BNa
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 15681-89-7
- Molecular Formula
- H4BNa
- Molecular Mass
- 41.86 g/mol
Identifiers
CAS Registry Number
15681-89-7
SMILES
[2H][B-]([2H])([2H])[2H].[Na+]
InChI Key
YOQDYZUWIQVZSF-XWFVQAFUSA-N
InChI
InChI=1S/BH4.Na/h1H4;/q-1;+1/i1D4;
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
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 41.86 g/mol | CAS Common Chemistry |
| 41.858407111999995 g/mol | RDKit | |
| 42.055481791999995 g/mol | RDKit | |
| 41.8584 g/mol | RDKit | |
| Canonical SMILES | [Na+].[H-][B+3]([H-])([H-])[H-] | CAS Common Chemistry |
| InChI | InChI=1S/BH4.Na/h1H4;/q-1;+1/i1D4; | CAS Common Chemistry |
| InChI Key | InChIKey=YOQDYZUWIQVZSF-XWFVQAFUSA-N | CAS Common Chemistry |
| Name | Sodium borodeuteride | 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 | -4.4476 | RDKit |
| Molar Refractivity | 11.333999999999998 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 39.848 g/mol | chempirical lib |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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140
120
100
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40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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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 = 41.86 g/mol. Edit any field — others recompute live.
