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N1,N2-Diethylethanediamide
CAS: 615-84-9 | C6H12N2O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
615-84-9
Molecular Formula:
C6H12N2O2
Molecular Weight:
144.17399999999998 g/mol
Names and Synonyms:
N1,N2-Diethylethanediamide
NSC 243629
N,N′-Diethyloxalamide
N,N′-Diethyloxamide
N1,N2-Diethylethanediamide
Ethanediamide, N,N′-diethyl-
Oxamide, N,N′-diethyl-
Ethanediamide, N1,N2-diethyl-
Identifiers:
SMILES:
CCNC(=O)C(=O)NCC
InChI:
InChI=1S/C6H12N2O2/c1-3-7-5(9)6(10)8-4-2/h3-4H2,1-2H3,(H,7,9)(H,8,10)
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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 144.17399999999998 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 144.089877624 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 10 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 2 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 | 58.2 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | -0.7413999999999994 | RDKit |
| molecular_mass | 144.17 g/mol | Legacy Database |
| cas-canonical-smile | O=C(NCC)C(=O)NCC None | Legacy Database |
| cas-inchi | InChI=1S/C6H12N2O2/c1-3-7-5(9)6(10)8-4-2/h3-4H2,1-2H3,(H,7,9)(H,8,10) None | Legacy Database |
| cas-inchi-key | InChIKey=FFYAVOJIYAAUNX-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 175 °C None | Legacy Database |
| cas-name | N1,N2-Diethylethanediamide None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 37.3674 | RDKit |
