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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 Mass:
116.12 g/mol
Names and Synonyms:
N,N-Dimethyl-2-Nitroethenamine
Ethenamine, N,N-dimethyl-2-nitro-
Vinylamine, N,N-dimethyl-2-nitro-
N,N-Dimethyl-2-nitroethenamine
N,N-Dimethyl-2-nitrovinylamine
1-Nitro-2-(dimethylamino)ethylene
1-(Dimethylamino)-2-nitroethylene
N-(2-Nitrovinyl)dimethylamine
1-(N,N-Dimethylamino)-2-nitroethylene
1-(Dimethylamino)-2-nitroethene
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
Key Properties
Melting Point
104 °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=N(=O)C=CN(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C4H8N2O2/c1-5(2)3-4-6(7)8/h3-4H,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=JKOVQYWMFZTKMX-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 104 °C | CAS Common Chemistry |
| Name | N,N-Dimethyl-2-nitroethenamine | CAS Common Chemistry |
| Heavy Atom Count | 8 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 46.379999999999995 Ų | RDKit |
| LogP | 0.29589999999999994 | RDKit |
| Molar Refractivity | 29.82139999999999 | RDKit |
