Back to Search
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
Names and Synonyms:
Copper Cyanide (Cu(Cn)2)
Copper cyanide (Cu(CN)2)
Hydrocyanic acid, copper(2+) salt
Cupric cyanide
Copper(II) cyanide
Identifiers:
SMILES:
[C]#N.[C]#N.[Cu]
InChI:
InChI=1S/2CN.Cu/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 | 115.58 g/mol | CAS Common Chemistry |
| 115.582 g/mol | RDKit | |
| 114.9357455 g/mol | RDKit | |
| 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 |
| Molar Refractivity | 9.936 | RDKit |
