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Azoxyphenetole
CAS: 4792-83-0 | C16H18N2O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
4792-83-0
Molecular Formula:
C16H18N2O3
Molecular Mass:
286.33 g/mol
Names and Synonyms:
Azoxyphenetole
Diazene, bis(4-ethoxyphenyl)-, 1-oxide
Azoxybenzene, 4,4′-diethoxy-
Phenetole, 4,4′-azoxydi-
p,p′-Azoxyphenetole
4,4′-Azoxyphenetole
4,4′-Bis(ethoxy)azoxybenzene
4,4′-Diethoxyazoxybenzene
4,4′-Azoxydiphenetole
p,p′-Diethyloxyazoxybenzene
Azoxyphenetole
p,p′-Diethoxyazoxybenzene
PAP
ADP
NSC 142006
Identifiers:
SMILES:
CCOc1ccc(N=[N+]([O-])c2ccc(OCC)cc2)cc1
InChI:
InChI=1S/C16H18N2O3/c1-3-20-15-9-5-13(6-10-15)17-18(19)14-7-11-16(12-8-14)21-4-2/h5-12H,3-4H2,1-2H3
Key Properties
Melting Point
134.7 °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 | 286.33 g/mol | CAS Common Chemistry |
| 286.33099999999996 g/mol | RDKit | |
| 286.131742436 g/mol | RDKit | |
| Canonical SMILES | O=N(=NC1=CC=C(OCC)C=C1)C2=CC=C(OCC)C=C2 | CAS Common Chemistry |
| InChI | InChI=1S/C16H18N2O3/c1-3-20-15-9-5-13(6-10-15)17-18(19)14-7-11-16(12-8-14)21-4-2/h5-12H,3-4H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=QUICZVHSJNKDBL-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 134.7 °C | CAS Common Chemistry |
| Name | Azoxyphenetole | CAS Common Chemistry |
| Heavy Atom Count | 21 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 56.89 Ų | RDKit |
| LogP | 4.4097000000000035 | RDKit |
| Molar Refractivity | 80.59740000000005 | RDKit |
