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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 Weight:
110.72899999999998 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;
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
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2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
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120
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| 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.
All Properties
Comprehensive physical and chemical properties
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 110.72899999999998 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 109.94149089999999 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 5 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 2 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 | 47.58 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 0.19024 | RDKit |
| molecular_mass | 110.73 g/mol | Legacy Database |
| density | 2.39 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Nickel_dicyanide None | Legacy Database |
| cas-canonical-smile | N#C[Ni]C#N None | Legacy Database |
| cas-density | 2.393 g/cm3 None | Legacy Database |
| cas-inchi | InChI=1S/2CN.Ni/c2*1-2; None | Legacy Database |
| cas-inchi-key | InChIKey=QDPIEWGNCSWLRC-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | >200 °C None | Legacy Database |
| cas-name | Nickel cyanide (Ni(CN)2) None | Legacy Database |
| wikipedia-name | Nickel dicyanide None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 9.936 | RDKit |
