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Barium Cyanide
CAS: 542-62-1 | C2BaN2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
542-62-1
Molecular Formula:
C2BaN2
Molecular Mass:
189.36 g/mol
Names and Synonyms:
Barium Cyanide
Barium cyanide (Ba(CN)2)
Barium cyanide
Barium dicyanide
Identifiers:
SMILES:
[Ba].[C]#N.[C]#N
InChI:
InChI=1S/2CN.Ba/c2*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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 189.36 g/mol | CAS Common Chemistry |
| 189.364 g/mol | RDKit | |
| 189.9113952 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Barium_cyanide | CAS Common Chemistry |
| Canonical SMILES | N#C[Ba]C#N | CAS Common Chemistry |
| InChI | InChI=1S/2CN.Ba/c2*1-2; | CAS Common Chemistry |
| InChI Key | InChIKey=GEJNRCXTDOSRNM-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Barium cyanide (Ba(CN)2) | CAS Common Chemistry |
| Barium cyanide | CAS Common Chemistry | |
| Heavy Atom Count | 5 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 47.58 Ų | RDKit |
| LogP | -0.18806000000000006 | RDKit |
| Molar Refractivity | 15.69 | RDKit |
