Back to Search
Molecule
Potassium Tetracyanonickelate
CAS: 14220-17-8 · C4K2N4Ni
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 14220-17-8
- Molecular Formula
- C4K2N4Ni
- Molecular Mass
- 240.96 g/mol
Identifiers
CAS Registry Number
14220-17-8
SMILES
[C-]#N.[C-]#N.[C-]#N.[C-]#N.[K+].[K+].[Ni+2]
InChI Key
LXWJYIBQIPSFSE-UHFFFAOYSA-N
InChI
InChI=1S/4CN.2K.Ni/c4*1-2;;;/q4*-1;2*+1;+2
Names and Synonyms
- Potassium Tetracyanonickelate Common Name
- Nickelate(2-), tetrakis(cyano-κC)-, potassium (1:2), (SP-4-1)- Synonym
- Nickelate(2-), tetracyano-, dipotassium Synonym
- Nickelate(2-), tetrakis(cyano-C)-, dipotassium, (SP-4-1)- Synonym
- Potassium tetracyanonickelate(II) Synonym
- Nickelate(2-), tetrakis(cyano-κC)-, dipotassium, (SP-4-1)- Synonym
- Dipotassium tetracyanonickelate(2-) Synonym
- Potassium nickel cyanide [K2Ni(CN)4] Synonym
- Dipotassium tetrakis(cyano)nickelate Synonym
- Dipotassium tetracyanonickelate Synonym
- Potassium tetracyanonickelate Synonym
- Dipotassium nickel tetracyanide Synonym
- Nickel potassium cyanide (NiK2(CN)4) Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 240.96 g/mol | CAS Common Chemistry |
| 240.961 g/mol | RDKit | |
| 249.025 g/mol | chempirical lib | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Potassium_tetracyanonickelate | CAS Common Chemistry |
| Canonical SMILES | [K+].N#[C-][Ni+2]([C-]#N)([C-]#N)[C-]#N | CAS Common Chemistry |
| InChI | InChI=1S/4CN.2K.Ni/c4*1-2;;;/q4*-1;2*+1;+2 | CAS Common Chemistry |
| InChI Key | InChIKey=LXWJYIBQIPSFSE-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Nickelate(2-), tetrakis(cyano-κC)-, potassium (1:2), (SP-4-1)- | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 95.16 Ų | RDKit |
| LogP | -5.60902 | RDKit |
| -5.609 | RDKit | |
| Molar Refractivity | 19.872 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 239.87505226 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
Convert
Quick conversion
MW = 240.96 g/mol. Edit any field — others recompute live.
