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Molecule
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
Identifiers
CAS Registry Number
4792-83-0
SMILES
CCOc1ccc(N=[N+]([O-])c2ccc(OCC)cc2)cc1
InChI Key
QUICZVHSJNKDBL-UHFFFAOYSA-N
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
Names and Synonyms
- Azoxyphenetole Synonym
- Diazene, bis(4-ethoxyphenyl)-, 1-oxide Synonym
- Azoxybenzene, 4,4′-diethoxy- Synonym
- Phenetole, 4,4′-azoxydi- Synonym
- p,p′-Azoxyphenetole Synonym
- 4,4′-Azoxyphenetole Synonym
- 4,4′-Bis(ethoxy)azoxybenzene Synonym
- 4,4′-Diethoxyazoxybenzene Synonym
- 4,4′-Azoxydiphenetole Synonym
- p,p′-Diethyloxyazoxybenzene Synonym
- Azoxyphenetole Synonym
- p,p′-Diethoxyazoxybenzene Synonym
- PAP Synonym
- ADP Synonym
- NSC 142006 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 286.33 g/mol | CAS Common Chemistry |
| 286.33099999999996 g/mol | RDKit | |
| 286.331 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 |
| 52.05 Ų | chempirical lib | |
| LogP | 4.4097000000000035 | RDKit |
| 4.4097 | RDKit | |
| Molar Refractivity | 80.59740000000005 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.25 | RDKit |
| Exact Mass | 286.131742436 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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20
0 ppm
| 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.
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MW = 286.33 g/mol. Edit any field — others recompute live.
