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N1,N2-Dimethylethanediamide
CAS: 615-35-0 | C4H8N2O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
615-35-0
Molecular Formula:
C4H8N2O2
Molecular Mass:
116.12 g/mol
Names and Synonyms:
N1,N2-Dimethylethanediamide
Ethanediamide, N1,N2-dimethyl-
Oxamide, N,N′-dimethyl-
Ethanediamide, N,N′-dimethyl-
N1,N2-Dimethylethanediamide
N,N′-Dimethyloxalamide
N,N′-Dimethyloxamide
N,N′-Dimethylethanediamide
NSC 80645
Identifiers:
SMILES:
CNC(=O)C(=O)NC
InChI:
InChI=1S/C4H8N2O2/c1-5-3(7)4(8)6-2/h1-2H3,(H,5,7)(H,6,8)
Key Properties
Melting Point
217 °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 | 116.12 g/mol | CAS Common Chemistry |
| 116.11999999999999 g/mol | RDKit | |
| 116.058577496 g/mol | RDKit | |
| Canonical SMILES | O=C(NC)C(=O)NC | CAS Common Chemistry |
| InChI | InChI=1S/C4H8N2O2/c1-5-3(7)4(8)6-2/h1-2H3,(H,5,7)(H,6,8) | CAS Common Chemistry |
| InChI Key | InChIKey=IPZCJUOJSODZNK-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 217 °C | CAS Common Chemistry |
| Name | N1,N2-Dimethylethanediamide | CAS Common Chemistry |
| Heavy Atom Count | 8 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 58.2 Ų | RDKit |
| LogP | -1.5216 | RDKit |
| Molar Refractivity | 28.133399999999995 | RDKit |
