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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 Mass:
144.17 g/mol
Names and Synonyms:
N1,N2-Diethylethanediamide
Ethanediamide, N1,N2-diethyl-
Oxamide, N,N′-diethyl-
Ethanediamide, N,N′-diethyl-
N1,N2-Diethylethanediamide
N,N′-Diethyloxamide
N,N′-Diethyloxalamide
NSC 243629
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)
Key Properties
Melting Point
175 °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 | 144.17 g/mol | CAS Common Chemistry |
| 144.17399999999998 g/mol | RDKit | |
| 144.089877624 g/mol | RDKit | |
| Canonical SMILES | O=C(NCC)C(=O)NCC | CAS Common Chemistry |
| InChI | InChI=1S/C6H12N2O2/c1-3-7-5(9)6(10)8-4-2/h3-4H2,1-2H3,(H,7,9)(H,8,10) | CAS Common Chemistry |
| InChI Key | InChIKey=FFYAVOJIYAAUNX-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 175 °C | CAS Common Chemistry |
| Name | N1,N2-Diethylethanediamide | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 58.2 Ų | RDKit |
| LogP | -0.7413999999999994 | RDKit |
| Molar Refractivity | 37.3674 | RDKit |
