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Molecule
Copper(I) Cyanide
CAS: 544-92-3 · CCuN
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 544-92-3
- Molecular Formula
- CCuN
- Molecular Mass
- 89.56 g/mol
Identifiers
CAS Registry Number
544-92-3
SMILES
[C]#N.[Cu]
InChI Key
DULSAGLWMRMKCQ-UHFFFAOYSA-N
InChI
InChI=1S/CN.Cu/c1-2;
Names and Synonyms
- Copper(I) Cyanide Common Name
- Copper cyanide (Cu(CN)) Synonym
- Cupricin Synonym
- Cuprous cyanide Synonym
- Copper cyanide Synonym
- Copper(I) cyanide Synonym
- Copper monocyanide Synonym
- Copper(1+) cyanide Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 89.56 g/mol | CAS Common Chemistry |
| 89.564 g/mol | RDKit | |
| 91.58 g/mol | chempirical lib | |
| 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 |
| 0.0939 | RDKit | |
| Molar Refractivity | 4.968 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 88.9326715 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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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.
External Resources
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MW = 89.56 g/mol; density = 2.900 g/mL. Edit any field — others recompute live.
