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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 Mass:
116.12 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)
Key Properties
Melting Point
140-143 °C
CAS Common Chemistry
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 116.12 g/mol | CAS Common Chemistry |
| 116.11999999999999 g/mol | RDKit | |
| 116.058577496 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/N-Acetylglycinamide | CAS Common Chemistry |
| Canonical SMILES | O=C(N)CNC(=O)C | CAS Common Chemistry |
| InChI | InChI=1S/C4H8N2O2/c1-3(7)6-2-4(5)8/h2H2,1H3,(H2,5,8)(H,6,7) | CAS Common Chemistry |
| InChI Key | InChIKey=WQELDIQOHGAHEM-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 140-143 °C | CAS Common Chemistry |
| Name | N-Acetylglycinamide | CAS Common Chemistry |
| Heavy Atom Count | 8 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 76.67 Ų | RDKit |
| LogP | 0.49806999999999996 | RDKit |
| Molar Refractivity | 30.960299999999993 | RDKit |
