Back to Search
N-Acetylglycinamide
CAS: 2620-63-5 | C4H8N2O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2620-63-5
Molecular Formula:
C4H8N2O2
Molecular Weight:
116.11999999999999 g/mol
Names and Synonyms:
N-Acetylglycinamide
Acetamide, N-(2-amino-2-oxoethyl)-
Acetamide, 2-acetamido-
N-(2-Amino-2-oxoethyl)acetamide
N,2′-Biacetamide
Aceturamide
N-Acetylglycinamide
N-Acetyl glycine amide
NSC 514773
2-Acetamidoacetamide
Aglyam
Identifiers:
SMILES:
CC(O)=NCC(=N)O
InChI:
InChI=1S/C4H8N2O2/c1-3(7)6-2-4(5)8/h2H2,1H3,(H2,5,8)(H,6,7)
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 | 116.12 g/mol | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/N-Acetylglycinamide None | Legacy Database |
| cas-canonical-smile | O=C(N)CNC(=O)C None | Legacy Database |
| cas-inchi | InChI=1S/C4H8N2O2/c1-3(7)6-2-4(5)8/h2H2,1H3,(H2,5,8)(H,6,7) None | Legacy Database |
| cas-inchi-key | InChIKey=WQELDIQOHGAHEM-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 140-143 °C None | Legacy Database |
| cas-name | N-Acetylglycinamide None | Legacy Database |
| wikipedia-name | N-Acetylglycinamide None | Legacy Database |
| LogP | 0.49806999999999996 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 116.11999999999999 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 116.058577496 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 8 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 3 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 2 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 76.67 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 30.960299999999993 | RDKit |
