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N,N-Diethyl-4-Nitrobenzenamine
CAS: 2216-15-1 | C10H14N2O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2216-15-1
Molecular Formula:
C10H14N2O2
Molecular Mass:
194.23 g/mol
Names and Synonyms:
N,N-Diethyl-4-Nitrobenzenamine
Benzenamine, N,N-diethyl-4-nitro-
Aniline, N,N-diethyl-p-nitro-
N,N-Diethyl-4-nitrobenzenamine
N,N-Diethyl-4-nitroaniline
N,N-Diethyl-p-nitroaniline
p-Nitro-N,N-diethylaniline
4-Nitro-N,N-diethylaniline
4-(Diethylamino)nitrobenzene
Identifiers:
SMILES:
CCN(CC)c1ccc([N+](=O)[O-])cc1
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
Key Properties
Melting Point
77.5 °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 | 194.23 g/mol | CAS Common Chemistry |
| 194.23399999999998 g/mol | RDKit | |
| 194.105527688 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 |
| LogP | 2.4410000000000007 | RDKit |
| Molar Refractivity | 56.65740000000004 | RDKit |
