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N,N-Dimethyl-2-Nitroethenamine
CAS: 1190-92-7 | C4H8N2O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1190-92-7
Molecular Formula:
C4H8N2O2
Molecular Weight:
116.11999999999999 g/mol
Names and Synonyms:
N,N-Dimethyl-2-Nitroethenamine
1-(Dimethylamino)-2-nitroethene
1-(N,N-Dimethylamino)-2-nitroethylene
N-(2-Nitrovinyl)dimethylamine
1-(Dimethylamino)-2-nitroethylene
1-Nitro-2-(dimethylamino)ethylene
N,N-Dimethyl-2-nitrovinylamine
N,N-Dimethyl-2-nitroethenamine
Vinylamine, N,N-dimethyl-2-nitro-
Ethenamine, N,N-dimethyl-2-nitro-
Identifiers:
SMILES:
CN(C)C=C[N+](=O)[O-]
InChI:
InChI=1S/C4H8N2O2/c1-5(2)3-4-6(7)8/h3-4H,1-2H3
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 | 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 | 3 count | RDKit |
| Hydrogen Bond Donors | 0 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 | 46.379999999999995 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 0.29589999999999994 | RDKit |
| molecular_mass | 116.12 g/mol | Legacy Database |
| cas-canonical-smile | O=N(=O)C=CN(C)C None | Legacy Database |
| cas-inchi | InChI=1S/C4H8N2O2/c1-5(2)3-4-6(7)8/h3-4H,1-2H3 None | Legacy Database |
| cas-inchi-key | InChIKey=JKOVQYWMFZTKMX-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 104 °C None | Legacy Database |
| cas-name | N,N-Dimethyl-2-nitroethenamine None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 29.82139999999999 | RDKit |
