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Formamide, N-Formyl-, Sodium Salt
CAS: 18197-26-7 | C2H3NNaO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
18197-26-7
Molecular Formula:
C2H3NNaO2
Molecular Weight:
96.041 g/mol
Names and Synonyms:
Formamide, N-Formyl-, Sodium Salt
Formamide, N-formyl-, sodium salt
Diformamide, sodium salt
Sodium diformamide
Sodium diformylamide
Diformylimide sodium salt
Diformylamine sodium salt
Identifiers:
SMILES:
O=CN=CO.[Na]
InChI:
InChI=1S/C2H3NO2.Na/c4-1-3-2-5;/h1-2H,(H,3,4,5);
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 | 96.04 g/mol | Legacy Database |
| cas-canonical-smile | [Na].O=CNC=O None | Legacy Database |
| cas-inchi | InChI=1S/C2H3NO2.Na/c4-1-3-2-5;/h1-2H,(H,3,4,5); None | Legacy Database |
| cas-inchi-key | InChIKey=XSOUHKNGENPZMH-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 242 °C None | Legacy Database |
| cas-name | Formamide, N-formyl-, sodium salt None | Legacy Database |
| LogP | -0.6517 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 96.041 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 96.006147616 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 6 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 1 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 1 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 49.66 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 22.938799999999997 | RDKit |
