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Nickel Dicyanide
CAS: 557-19-7 | C2N2Ni
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
557-19-7
Molecular Formula:
C2N2Ni
Molecular Mass:
110.73 g/mol
Names and Synonyms:
Nickel Dicyanide
Nickel cyanide (Ni(CN)2)
Dicyanonickel
Nickel dicyanide
Nickel(II) cyanide
Identifiers:
SMILES:
[C]#N.[C]#N.[Ni]
InChI:
InChI=1S/2CN.Ni/c2*1-2;
Key Properties
Melting Point
>200 °C
CAS Common Chemistry
Density
2.39 g/cm³
CAS Common Chemistry
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 | 110.73 g/mol | CAS Common Chemistry |
| 110.72899999999998 g/mol | RDKit | |
| 109.94149089999999 g/mol | RDKit | |
| Density | 2.39 g/cm³ | CAS Common Chemistry |
| 2.393 g/cm3 | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Nickel_dicyanide | CAS Common Chemistry |
| Canonical SMILES | N#C[Ni]C#N | CAS Common Chemistry |
| InChI | InChI=1S/2CN.Ni/c2*1-2; | CAS Common Chemistry |
| InChI Key | InChIKey=QDPIEWGNCSWLRC-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | >200 °C | CAS Common Chemistry |
| Name | Nickel cyanide (Ni(CN)2) | CAS Common Chemistry |
| Nickel dicyanide | 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 | 0.19024 | RDKit |
| Molar Refractivity | 9.936 | RDKit |
