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Molecule
Tetraacetylethylenediamine
CAS: 10543-57-4 · C10H16N2O4
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 10543-57-4
- Molecular Formula
- C10H16N2O4
- Molecular Mass
- 228.25 g/mol
Identifiers
CAS Registry Number
10543-57-4
SMILES
CC(=O)N(CCN(C(C)=O)C(C)=O)C(C)=O
InChI Key
BGRWYDHXPHLNKA-UHFFFAOYSA-N
InChI
InChI=1S/C10H16N2O4/c1-7(13)11(8(2)14)5-6-12(9(3)15)10(4)16/h5-6H2,1-4H3
Names and Synonyms
- Tetraacetylethylenediamine Common Name
- Acetamide, N,N′-1,2-ethanediylbis[N-acetyl- Synonym
- Diacetamide, N,N′-ethylenebis- Synonym
- N,N′-1,2-Ethanediylbis[N-acetylacetamide] Synonym
- N,N,N′,N′-Tetraacetylethylenediamine Synonym
- Tetraacetylethylenediamine Synonym
- N,N′-Ethylenebis[diacetamide] Synonym
- Mykon ATC Synonym
- Nikon A Synonym
- T 0946 Synonym
- TAED 4303 Synonym
- TAED Synonym
- Peractive AN Synonym
- N,N′-Ethylenebis[N-acetylacetamide] Synonym
- TAED 4049 Synonym
- Peractive TAED Synonym
- Peractive P Synonym
- Warwick B 610 Synonym
- Peractive AP Synonym
- Peractive AC Synonym
- Warwick B 637 Synonym
- Mykon B 610 Synonym
- Mikon ATC Synonym
- Peractive AC Blue Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 228.25 g/mol | CAS Common Chemistry |
| 228.248 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Tetraacetylethylenediamine | CAS Common Chemistry |
| Canonical SMILES | O=C(N(C(=O)C)CCN(C(=O)C)C(=O)C)C | CAS Common Chemistry |
| InChI | InChI=1S/C10H16N2O4/c1-7(13)11(8(2)14)5-6-12(9(3)15)10(4)16/h5-6H2,1-4H3 | CAS Common Chemistry |
| InChI Key | InChIKey=BGRWYDHXPHLNKA-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 174-176 °C | CAS Common Chemistry |
| Name | Tetraacetylethylenediamine | CAS Common Chemistry |
| Heavy Atom Count | 16 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 74.76 Ų | RDKit |
| 74.3 Ų | chempirical lib | |
| LogP | -0.22360000000000002 | RDKit |
| -0.2236 | RDKit | |
| Molar Refractivity | 56.13600000000003 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.6 | RDKit |
| Exact Mass | 228.111006992 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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MW = 228.25 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C10H16N2O4.
