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Molecule
N,N-Diethyl-4-Nitrobenzenamine
CAS: 2216-15-1 · C10H14N2O2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 2216-15-1
- Molecular Formula
- C10H14N2O2
- Molecular Mass
- 194.23 g/mol
Identifiers
CAS Registry Number
2216-15-1
SMILES
CCN(CC)c1ccc([N+](=O)[O-])cc1
InChI Key
CFPIZMWTMRWZRO-UHFFFAOYSA-N
InChI
InChI=1S/C10H14N2O2/c1-3-11(4-2)9-5-7-10(8-6-9)12(13)14/h5-8H,3-4H2,1-2H3
Names and Synonyms
- N,N-Diethyl-4-Nitrobenzenamine Systematic Name
- Benzenamine, N,N-diethyl-4-nitro- Synonym
- Aniline, N,N-diethyl-p-nitro- Synonym
- N,N-Diethyl-4-nitrobenzenamine Synonym
- N,N-Diethyl-4-nitroaniline Synonym
- N,N-Diethyl-p-nitroaniline Synonym
- p-Nitro-N,N-diethylaniline Synonym
- 4-Nitro-N,N-diethylaniline Synonym
- 4-(Diethylamino)nitrobenzene Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 194.23 g/mol | CAS Common Chemistry |
| 194.23399999999998 g/mol | RDKit | |
| 194.234 g/mol | RDKit | |
| Canonical SMILES | O=N(=O)C1=CC=C(C=C1)N(CC)CC | CAS Common Chemistry |
| InChI | InChI=1S/C10H14N2O2/c1-3-11(4-2)9-5-7-10(8-6-9)12(13)14/h5-8H,3-4H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=CFPIZMWTMRWZRO-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 77.5 °C | CAS Common Chemistry |
| Name | N,N-Diethyl-4-nitrobenzenamine | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 46.379999999999995 Ų | RDKit |
| 46.38 Ų | RDKit | |
| LogP | 2.4410000000000007 | RDKit |
| 2.441 | RDKit | |
| Molar Refractivity | 56.65740000000004 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.4 | RDKit |
| Exact Mass | 194.105527688 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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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 = 194.23 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C10H14N2O2.
