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Molecule
Cuprate(2-), Tris(Cyano-Κc)-, Sodium (1:2)
CAS: 14264-31-4 · C3CuN3Na2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 14264-31-4
- Molecular Formula
- C3CuN3Na2
- Molecular Mass
- 187.58 g/mol
Identifiers
CAS Registry Number
14264-31-4
SMILES
[C-]#N.[C-]#N.[C-]#N.[Cu+].[Na+].[Na+]
InChI Key
JXWXJWOMXJKLOG-UHFFFAOYSA-N
InChI
InChI=1S/3CN.Cu.2Na/c3*1-2;;;/q3*-1;3*+1
Names and Synonyms
- Cuprate(2-), Tris(Cyano-Κc)-, Sodium (1:2) Systematic Name
- Cuprate(2-), tris(cyano-κC)-, sodium (1:2) Synonym
- Cuprate(2-), tris(cyano-C)-, disodium Synonym
- Sodium tricyanocuprate(I) Synonym
- Sodium cyanocuprate(I) (Na2Cu(CN)3) Synonym
- Cuprate(2-), tris(cyano-κC)-, disodium Synonym
- Disodium tricyanocuprate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 187.58 g/mol | CAS Common Chemistry |
| 193.628 g/mol | chempirical lib | |
| Canonical SMILES | [Na+].N#[C-][Cu+]([C-]#N)[C-]#N | CAS Common Chemistry |
| InChI | InChI=1S/3CN.Cu.2Na/c3*1-2;;;/q3*-1;3*+1 | CAS Common Chemistry |
| InChI Key | InChIKey=JXWXJWOMXJKLOG-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Cuprate(2-), tris(cyano-κC)-, sodium (1:2) | CAS Common Chemistry |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 71.37 Ų | RDKit |
| LogP | -5.7053899999999995 | RDKit |
| -5.7054 | RDKit | |
| Molar Refractivity | 14.904 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 186.91835805999997 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
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MW = 187.58 g/mol. Edit any field — others recompute live.
