Back to Search
Molecule
Sodium Cyanoborohydride
CAS: 25895-60-7 · CH3BNNa
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 25895-60-7
- Molecular Formula
- CH3BNNa
- Molecular Mass
- 62.843999999999994 g/mol
Identifiers
CAS Registry Number
25895-60-7
SMILES
[BH3-]C#N.[Na+]
InChI Key
CVDUGUOQTVTBJH-UHFFFAOYSA-N
InChI
InChI=1S/CH3BN.Na/c2-1-3;/h2H3;/q-1;+1
Names and Synonyms
- Sodium Cyanoborohydride Synonym
- Borate(1-), (cyano-κC)trihydro-, sodium, (T-4)- Synonym
- Sodium cyanoborohydride Synonym
- Sodium borocyanohydride Synonym
- Sodium cyanotrihydroborate Synonym
- Sodium cyanotrihydroborate(1-) Synonym
- Sodium cyanoboronhydride Synonym
- Sodium cyanoboranuide Synonym
- Borate(1-), (cyano-κC)trihydro-, sodium (1:1), (T-4)- Synonym
- Borate(1-), cyanotrihydro-, sodium Synonym
- Borate(1-), (cyano-C)trihydro-, sodium, (T-4)- Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Wikipedia Url | https://en.wikipedia.org/wiki/Sodium_cyanoborohydride | CAS Common Chemistry |
| Canonical SMILES | [Na+].[H-][B+3]([H-])([H-])[C-]#N | CAS Common Chemistry |
| InChI | InChI=1S/CH3BN.Na/c2-1-3;/h2H3;/q-1;+1 | CAS Common Chemistry |
| InChI Key | InChIKey=CVDUGUOQTVTBJH-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 185 °C | CAS Common Chemistry |
| Name | Sodium cyanoborohydride | CAS Common Chemistry |
| Molecular Mass | 62.843999999999994 g/mol | RDKit |
| 63.02562377599999 g/mol | RDKit | |
| 62.844 g/mol | RDKit | |
| 64.858 g/mol | chempirical lib | |
| Heavy Atom Count | 4 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 23.79 Ų | RDKit |
| LogP | -4.16312 | RDKit |
| -4.1631 | RDKit | |
| Molar Refractivity | 15.551999999999998 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 62.84 g/mol | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
Convert
Quick conversion
MW = 62.84 g/mol. Edit any field — others recompute live.
