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4-Methoxyazobenzene
CAS: 2396-60-3 | C13H12N2O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2396-60-3
Molecular Formula:
C13H12N2O
Molecular Mass:
212.25 g/mol
Names and Synonyms:
4-Methoxyazobenzene
Diazene, 1-(4-methoxyphenyl)-2-phenyl-
Azobenzene, 4-methoxy-
Diazene, (4-methoxyphenyl)phenyl-
Anisole, p-(phenylazo)-
1-(4-Methoxyphenyl)-2-phenyldiazene
p-Methoxyazobenzene
4-Methoxyazobenzene
4-(Phenylazo)anisole
NSC 16044
(4-Methoxyphenyl)-phenyldiazene
Identifiers:
SMILES:
COc1ccc(N=Nc2ccccc2)cc1
InChI:
InChI=1S/C13H12N2O/c1-16-13-9-7-12(8-10-13)15-14-11-5-3-2-4-6-11/h2-10H,1H3
Key Properties
Boiling Point
340 °C
CAS Common Chemistry
Melting Point
56 °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 | 212.25 g/mol | CAS Common Chemistry |
| 212.25200000000004 g/mol | RDKit | |
| 212.094963004 g/mol | RDKit | |
| Boiling Point | 340 °C | CAS Common Chemistry |
| Canonical SMILES | N(=NC1=CC=C(OC)C=C1)C=2C=CC=CC2 | CAS Common Chemistry |
| InChI | InChI=1S/C13H12N2O/c1-16-13-9-7-12(8-10-13)15-14-11-5-3-2-4-6-11/h2-10H,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=LGCRPKOHRIXSEG-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 56 °C | CAS Common Chemistry |
| Name | 4-Methoxyazobenzene | CAS Common Chemistry |
| Heavy Atom Count | 16 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 33.95 Ų | RDKit |
| LogP | 4.1106000000000025 | RDKit |
| Molar Refractivity | 63.61200000000004 | RDKit |
