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Tetraacetylethylenediamine
CAS: 10543-57-4 | C10H16N2O4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
10543-57-4
Molecular Formula:
C10H16N2O4
Molecular Mass:
228.25 g/mol
Names and Synonyms:
Tetraacetylethylenediamine
Acetamide, N,N′-1,2-ethanediylbis[N-acetyl-
Diacetamide, N,N′-ethylenebis-
N,N′-1,2-Ethanediylbis[N-acetylacetamide]
N,N,N′,N′-Tetraacetylethylenediamine
Tetraacetylethylenediamine
N,N′-Ethylenebis[diacetamide]
Mykon ATC
Nikon A
T 0946
TAED 4303
TAED
Peractive AN
N,N′-Ethylenebis[N-acetylacetamide]
TAED 4049
Peractive TAED
Peractive P
Warwick B 610
Peractive AP
Peractive AC
Warwick B 637
Mykon B 610
Mikon ATC
Peractive AC Blue
Identifiers:
SMILES:
CC(=O)N(CCN(C(C)=O)C(C)=O)C(C)=O
InChI:
InChI=1S/C10H16N2O4/c1-7(13)11(8(2)14)5-6-12(9(3)15)10(4)16/h5-6H2,1-4H3
Key Properties
Melting Point
174-176 °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 | 228.25 g/mol | CAS Common Chemistry |
| 228.248 g/mol | RDKit | |
| 228.111006992 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 |
| LogP | -0.22360000000000002 | RDKit |
| Molar Refractivity | 56.13600000000003 | RDKit |
