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Molecule
N-Acetylglycinamide
CAS: 2620-63-5 · C4H8N2O2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 2620-63-5
- Molecular Formula
- C4H8N2O2
- Molecular Mass
- 116.12 g/mol
Identifiers
CAS Registry Number
2620-63-5
SMILES
CC(O)=NCC(=N)O
InChI Key
WQELDIQOHGAHEM-UHFFFAOYSA-N
InChI
InChI=1S/C4H8N2O2/c1-3(7)6-2-4(5)8/h2H2,1H3,(H2,5,8)(H,6,7)
Names and Synonyms
- N-Acetylglycinamide Synonym
- Acetamide, N-(2-amino-2-oxoethyl)- Synonym
- Acetamide, 2-acetamido- Synonym
- N-(2-Amino-2-oxoethyl)acetamide Synonym
- N,2′-Biacetamide Synonym
- Aceturamide Synonym
- N-Acetylglycinamide Synonym
- N-Acetyl glycine amide Synonym
- NSC 514773 Synonym
- 2-Acetamidoacetamide Synonym
- Aglyam Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 116.12 g/mol | CAS Common Chemistry |
| 116.11999999999999 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 |
| 0.4981 | RDKit | |
| Molar Refractivity | 30.960299999999993 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5 | RDKit |
| Exact Mass | 116.058577496 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 116.12 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C4H8N2O2.
