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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 Weight:
116.11999999999999 g/mol
Names and Synonyms:
N1,N2-Dimethylethanediamide
NSC 80645
N,N′-Dimethylethanediamide
N,N′-Dimethyloxamide
N,N′-Dimethyloxalamide
N1,N2-Dimethylethanediamide
Ethanediamide, N,N′-dimethyl-
Oxamide, N,N′-dimethyl-
Ethanediamide, N1,N2-dimethyl-
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)
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 |
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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 | 116.11999999999999 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 116.058577496 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 8 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 2 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 0 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 | -1.5216 | RDKit |
| molecular_mass | 116.12 g/mol | Legacy Database |
| cas-canonical-smile | O=C(NC)C(=O)NC None | Legacy Database |
| cas-inchi | InChI=1S/C4H8N2O2/c1-5-3(7)4(8)6-2/h1-2H3,(H,5,7)(H,6,8) None | Legacy Database |
| cas-inchi-key | InChIKey=IPZCJUOJSODZNK-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 217 °C None | Legacy Database |
| cas-name | N1,N2-Dimethylethanediamide None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 28.133399999999995 | RDKit |
