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4-(4-Nitrophenoxy)Benzenamine
CAS: 6149-33-3 | C12H10N2O3
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
6149-33-3
Molecular Formula:
C12H10N2O3
Molecular Mass:
230.22 g/mol
Names and Synonyms:
4-(4-Nitrophenoxy)Benzenamine
Benzenamine, 4-(4-nitrophenoxy)-
Aniline, p-(p-nitrophenoxy)-
4-(4-Nitrophenoxy)benzenamine
4-Nitro-4′-aminodiphenyl ether
p-Aminophenyl p-nitrophenyl ether
4-Amino-4′-nitrodiphenyl ether
p-Nitrophenyl p-aminophenyl ether
4-Aminophenyl 4-nitrophenyl ether
p-(p-Nitrophenoxy)aniline
4-Amino-4′-nitrophenyl ether
4-(4-Nitrophenoxy)aniline
NSC 74273
[4-(4-Nitrophenoxy)phenyl]amine
Identifiers:
SMILES:
Nc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1
InChI:
InChI=1S/C12H10N2O3/c13-9-1-5-11(6-2-9)17-12-7-3-10(4-8-12)14(15)16/h1-8H,13H2
Key Properties
Melting Point
134-135 °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 | 230.22 g/mol | CAS Common Chemistry |
| 230.223 g/mol | RDKit | |
| 230.06914218 g/mol | RDKit | |
| Canonical SMILES | O=N(=O)C1=CC=C(OC2=CC=C(N)C=C2)C=C1 | CAS Common Chemistry |
| InChI | InChI=1S/C12H10N2O3/c13-9-1-5-11(6-2-9)17-12-7-3-10(4-8-12)14(15)16/h1-8H,13H2 | CAS Common Chemistry |
| InChI Key | InChIKey=ASAOLTVUTGZJST-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 134-135 °C | CAS Common Chemistry |
| Name | 4-(4-Nitrophenoxy)benzenamine | CAS Common Chemistry |
| Heavy Atom Count | 17 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 78.39 Ų | RDKit |
| LogP | 2.9693000000000014 | RDKit |
| Molar Refractivity | 64.02480000000001 | RDKit |
