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Molecule
Cuprate(1-), Bis(Cyano-Κc)-, Potassium (1:1)
CAS: 13682-73-0 · C2CuKN2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 13682-73-0
- Molecular Formula
- C2CuKN2
- Molecular Mass
- 154.68 g/mol
Identifiers
CAS Registry Number
13682-73-0
SMILES
[C-]#N.[C-]#N.[Cu+].[K+]
InChI Key
IVDPWEKOUUEEBD-UHFFFAOYSA-N
InChI
InChI=1S/2CN.Cu.K/c2*1-2;;/q2*-1;2*+1
Names and Synonyms
- Cuprate(1-), Bis(Cyano-Κc)-, Potassium (1:1) Systematic Name
- Cuprate(1-), bis(cyano-κC)-, potassium (1:1) Synonym
- Cuprate(1-), dicyano-, potassium Synonym
- Cuprate(1-), bis(cyano-C)-, potassium Synonym
- Potassium dicyanocuprate(I) Synonym
- Potassium cyanocuprate(I) (KCu(CN)2) Synonym
- Cuprate(1-), bis(cyano-κC)-, potassium Synonym
- Copper(I) potassium cyanide Synonym
- Potassium copper(I) cyanide Synonym
- Cuprous potassium cyanide Synonym
- Potassium dicyanocuprate(1-) Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 154.68 g/mol | CAS Common Chemistry |
| 158.712 g/mol | chempirical lib | |
| Canonical SMILES | [K+].N#[C-][Cu+][C-]#N | CAS Common Chemistry |
| InChI | InChI=1S/2CN.Cu.K/c2*1-2;;/q2*-1;2*+1 | CAS Common Chemistry |
| InChI Key | InChIKey=IVDPWEKOUUEEBD-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Cuprate(1-), bis(cyano-κC)-, potassium (1:1) | CAS Common Chemistry |
| Heavy Atom Count | 6 | 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 | -2.80576 | RDKit |
| -2.8058 | RDKit | |
| Molar Refractivity | 9.936 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 153.89945218 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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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.
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MW = 154.68 g/mol. Edit any field — others recompute live.
