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Molecule
Copper Cyanide (Cu(Cn)2)
CAS: 14763-77-0 · C2CuN2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 14763-77-0
- Molecular Formula
- C2CuN2
- Molecular Mass
- 115.58 g/mol
Identifiers
CAS Registry Number
14763-77-0
SMILES
[C]#N.[C]#N.[Cu]
InChI Key
OJDHPAQEFDMEMC-UHFFFAOYSA-N
InChI
InChI=1S/2CN.Cu/c2*1-2;
Names and Synonyms
- Copper Cyanide (Cu(Cn)2) Synonym
- Copper cyanide (Cu(CN)2) Synonym
- Hydrocyanic acid, copper(2+) salt Synonym
- Cupric cyanide Synonym
- Copper(II) cyanide Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 115.58 g/mol | CAS Common Chemistry |
| 115.582 g/mol | RDKit | |
| 118.606 g/mol | chempirical lib | |
| Canonical SMILES | N#C[Cu]C#N | CAS Common Chemistry |
| InChI | InChI=1S/2CN.Cu/c2*1-2; | CAS Common Chemistry |
| InChI Key | InChIKey=OJDHPAQEFDMEMC-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Copper cyanide (Cu(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 | 114.9357455 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 |
|---|
200 ppm
180
160
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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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MW = 115.58 g/mol. Edit any field — others recompute live.
