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Copper(I) Cyanide
CAS: 544-92-3 | CCuN
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
544-92-3
Molecular Formula:
CCuN
Molecular Mass:
89.56 g/mol
Names and Synonyms:
Copper(I) Cyanide
Copper cyanide (Cu(CN))
Cupricin
Cuprous cyanide
Copper cyanide
Copper(I) cyanide
Copper monocyanide
Copper(1+) cyanide
Identifiers:
SMILES:
[C]#N.[Cu]
InChI:
InChI=1S/CN.Cu/c1-2;
Key Properties
Melting Point
474 °C
CAS Common Chemistry
Density
2.90 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 | 89.56 g/mol | CAS Common Chemistry |
| 89.564 g/mol | RDKit | |
| 88.9326715 g/mol | RDKit | |
| Density | 2.90 g/cm³ | CAS Common Chemistry |
| 2.9 g/cm3 | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Copper(I)_cyanide | CAS Common Chemistry |
| Canonical SMILES | N#C[Cu] | CAS Common Chemistry |
| InChI | InChI=1S/CN.Cu/c1-2; | CAS Common Chemistry |
| InChI Key | InChIKey=DULSAGLWMRMKCQ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 474 °C | CAS Common Chemistry |
| Name | Cuprous cyanide | CAS Common Chemistry |
| Copper(I) cyanide | CAS Common Chemistry | |
| Heavy Atom Count | 3 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 23.79 Ų | RDKit |
| LogP | 0.09387 | RDKit |
| Molar Refractivity | 4.968 | RDKit |
