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Molecule
N,N-Dimethyl-2-Nitroethenamine
CAS: 1190-92-7 · C4H8N2O2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 1190-92-7
- Molecular Formula
- C4H8N2O2
- Molecular Mass
- 116.12 g/mol
Identifiers
CAS Registry Number
1190-92-7
SMILES
CN(C)C=C[N+](=O)[O-]
InChI Key
JKOVQYWMFZTKMX-UHFFFAOYSA-N
InChI
InChI=1S/C4H8N2O2/c1-5(2)3-4-6(7)8/h3-4H,1-2H3
Names and Synonyms
- N,N-Dimethyl-2-Nitroethenamine Systematic Name
- Ethenamine, N,N-dimethyl-2-nitro- Synonym
- Vinylamine, N,N-dimethyl-2-nitro- Synonym
- N,N-Dimethyl-2-nitroethenamine Synonym
- N,N-Dimethyl-2-nitrovinylamine Synonym
- 1-Nitro-2-(dimethylamino)ethylene Synonym
- 1-(Dimethylamino)-2-nitroethylene Synonym
- N-(2-Nitrovinyl)dimethylamine Synonym
- 1-(N,N-Dimethylamino)-2-nitroethylene Synonym
- 1-(Dimethylamino)-2-nitroethene Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 116.12 g/mol | CAS Common Chemistry |
| 116.11999999999999 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 |
| 46.38 Ų | RDKit | |
| LogP | 0.29589999999999994 | RDKit |
| 0.2959 | RDKit | |
| Molar Refractivity | 29.82139999999999 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5 | RDKit |
| Exact Mass | 116.058577496 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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200 ppm
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| 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.
External Resources
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MW = 116.12 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C4H8N2O2.
