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Molecule
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
Identifiers
CAS Registry Number
557-19-7
SMILES
[C]#N.[C]#N.[Ni]
InChI Key
QDPIEWGNCSWLRC-UHFFFAOYSA-N
InChI
InChI=1S/2CN.Ni/c2*1-2;
Names and Synonyms
- Nickel Dicyanide Synonym
- Nickel cyanide (Ni(CN)2) Synonym
- Dicyanonickel Synonym
- Nickel dicyanide Synonym
- Nickel(II) cyanide Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 110.73 g/mol | CAS Common Chemistry |
| 110.72899999999998 g/mol | RDKit | |
| 110.729 g/mol | RDKit | |
| 114.761 g/mol | chempirical lib | |
| 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 |
| 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 |
| 0.1902 | RDKit | |
| Molar Refractivity | 9.936 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 109.94149089999999 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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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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Quick conversion
MW = 110.73 g/mol; density = 2.390 g/mL. Edit any field — others recompute live.
