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Glycinamide
CAS: 598-41-4 | C2H6N2O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
598-41-4
Molecular Formula:
C2H6N2O
Molecular Weight:
74.083 g/mol
Names and Synonyms:
Glycinamide
Synonym
Acetamide, 2-amino-
Synonym
Glycinamide
Synonym
2-Aminoacetamide
Synonym
Glycine amide
Synonym
Aminoacetamide
Synonym
Identifiers:
SMILES:
N=C(O)CN
InChI:
InChI=1S/C2H6N2O/c3-1-2(4)5/h1,3H2,(H2,4,5)
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 | 74.08 g/mol | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Glycinamide None | Legacy Database |
| cas-canonical-smile | O=C(N)CN None | Legacy Database |
| cas-inchi | InChI=1S/C2H6N2O/c3-1-2(4)5/h1,3H2,(H2,4,5) None | Legacy Database |
| cas-inchi-key | InChIKey=BEBCJVAWIBVWNZ-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 65-67 °C None | Legacy Database |
| cas-name | Glycinamide None | Legacy Database |
| wikipedia-name | Glycinamide None | Legacy Database |
| LogP | -0.51963 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 74.083 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 74.048012812 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 5 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 3 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 | 70.1 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 19.4099 | RDKit |