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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 Weight:
89.564 g/mol
Names and Synonyms:
Copper(I) Cyanide
Common Name
Copper(1+) cyanide
Synonym
Copper monocyanide
Synonym
Copper(I) cyanide
Synonym
Copper cyanide
Synonym
Cuprous cyanide
Synonym
Cupricin
Synonym
Copper cyanide (Cu(CN))
Synonym
Identifiers:
SMILES:
[C]#N.[Cu]
InChI:
InChI=1S/CN.Cu/c1-2;
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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| 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.
All Properties
Comprehensive physical and chemical properties
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 89.564 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 88.9326715 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 3 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 1 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 0 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 23.79 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 0.09387 | RDKit |
| molecular_mass | 89.56 g/mol | Legacy Database |
| density | 2.90 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Copper(I)_cyanide None | Legacy Database |
| cas-canonical-smile | N#C[Cu] None | Legacy Database |
| cas-density | 2.9 g/cm3 None | Legacy Database |
| cas-inchi | InChI=1S/CN.Cu/c1-2; None | Legacy Database |
| cas-inchi-key | InChIKey=DULSAGLWMRMKCQ-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 474 °C None | Legacy Database |
| cas-name | Cuprous cyanide None | Legacy Database |
| wikipedia-name | Copper(I) cyanide None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 4.968 | RDKit |