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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
Names and Synonyms:
Para-Azoxyanisole
Diazene, 1,2-bis(4-methoxyphenyl)-, 1-oxide
Azoxybenzene, 4,4′-dimethoxy-
Diazene, bis(4-methoxyphenyl)-, 1-oxide
Anisole, 4,4′-azoxydi-
p-Azoxyanisole
4,4′-Azoxyanisole
4,4′-Azoxydianisole
p,p′-Azoxyanisole
p-Azoxydianisole
p,p′-Azoxydianisole
4,4′-Dimethoxyazoxybenzene
p,p′-Dimethoxyazoxybenzene
NSC 7959
Bis(4-methoxyphenyl)diazene oxide
Identifiers:
SMILES:
COc1ccc(N=[N+]([O-])c2ccc(OC)cc2)cc1
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
Key Properties
Melting Point
118-136 °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 | 258.28 g/mol | CAS Common Chemistry |
| 258.277 g/mol | RDKit | |
| 258.100442308 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 |
| para-Azoxyanisole | 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 |
| LogP | 3.629500000000002 | RDKit |
| Molar Refractivity | 71.36340000000004 | RDKit |
