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Molecule
Para-Azoxyanisole
CAS: 1562-94-3 · C14H14N2O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 1562-94-3
- Molecular Formula
- C14H14N2O3
- Molecular Mass
- 258.28 g/mol
Identifiers
CAS Registry Number
1562-94-3
SMILES
COc1ccc(N=[N+]([O-])c2ccc(OC)cc2)cc1
InChI Key
KAEZRSFWWCTVNP-UHFFFAOYSA-N
InChI
InChI=1S/C14H14N2O3/c1-18-13-7-3-11(4-8-13)15-16(17)12-5-9-14(19-2)10-6-12/h3-10H,1-2H3
Names and Synonyms
- Para-Azoxyanisole Synonym
- Diazene, 1,2-bis(4-methoxyphenyl)-, 1-oxide Synonym
- Azoxybenzene, 4,4′-dimethoxy- Synonym
- Diazene, bis(4-methoxyphenyl)-, 1-oxide Synonym
- Anisole, 4,4′-azoxydi- Synonym
- p-Azoxyanisole Synonym
- 4,4′-Azoxyanisole Synonym
- 4,4′-Azoxydianisole Synonym
- p,p′-Azoxyanisole Synonym
- p-Azoxydianisole Synonym
- p,p′-Azoxydianisole Synonym
- 4,4′-Dimethoxyazoxybenzene Synonym
- p,p′-Dimethoxyazoxybenzene Synonym
- NSC 7959 Synonym
- Bis(4-methoxyphenyl)diazene oxide Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 258.28 g/mol | CAS Common Chemistry |
| 258.277 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Para-Azoxyanisole | CAS Common Chemistry |
| Canonical SMILES | O=N(=NC1=CC=C(OC)C=C1)C2=CC=C(OC)C=C2 | CAS Common Chemistry |
| InChI | InChI=1S/C14H14N2O3/c1-18-13-7-3-11(4-8-13)15-16(17)12-5-9-14(19-2)10-6-12/h3-10H,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=KAEZRSFWWCTVNP-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 118-136 °C | CAS Common Chemistry |
| Name | Diazene, 1,2-bis(4-methoxyphenyl)-, 1-oxide | CAS Common Chemistry |
| Heavy Atom Count | 19 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 56.89 Ų | RDKit |
| 52.05 Ų | chempirical lib | |
| LogP | 3.629500000000002 | RDKit |
| 3.6295 | RDKit | |
| Molar Refractivity | 71.36340000000004 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.1429 | RDKit |
| 0.14 | chempirical lib | |
| Exact Mass | 258.100442308 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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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 = 258.28 g/mol. Edit any field — others recompute live.
