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Sodium Acetylide (Na(C2H))
CAS: 1066-26-8 | C2HNa
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1066-26-8
Molecular Formula:
C2HNa
Molecular Weight:
48.019999999999996 g/mol
Names and Synonyms:
Sodium Acetylide (Na(C2H))
Synonym
Sodium acetylide (Na(C2H))
Synonym
Sodium acetylide (Na(HC2))
Synonym
Sodium acetylide
Synonym
Sodium carbide (Na(HC2))
Synonym
Sodium, ethynyl-
Synonym
Monosodium acetylide
Synonym
Ethynyl sodium
Synonym
Sodium carbide (Na(C2H))
Synonym
Sodium acetylenide
Synonym
Ethyne, sodium salt (1:1)
Synonym
Identifiers:
SMILES:
[C]#C.[Na]
InChI:
InChI=1S/C2H.Na/c1-2;/h1H;
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
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.
All Properties
Comprehensive physical and chemical properties
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 48.02 g/mol | Legacy Database |
| cas-canonical-smile | [Na]C#C None | Legacy Database |
| cas-inchi | InChI=1S/C2H.Na/c1-2;/h1H; None | Legacy Database |
| cas-inchi-key | InChIKey=SLBNQJAGYKQCKI-UHFFFAOYSA-N None | Legacy Database |
| cas-name | Sodium acetylide (Na(C2H)) None | Legacy Database |
| LogP | -0.17481000000000002 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 48.019999999999996 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 47.997594312000004 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 3 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 0 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 | 0.0 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 13.942 | RDKit |