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4-Methoxybenzaldehyde Azine
CAS: 2299-73-2 | C16H16N2O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2299-73-2
Molecular Formula:
C16H16N2O2
Molecular Mass:
268.32 g/mol
Names and Synonyms:
4-Methoxybenzaldehyde Azine
Benzaldehyde, 4-methoxy-, 2-[(4-methoxyphenyl)methylene]hydrazone
p-Anisaldehyde, azine
Benzaldehyde, 4-methoxy-, [(4-methoxyphenyl)methylene]hydrazone
p-Anisalazine
Anisaldazine
p-Anisaldazine
Anisalazine
p-Methoxybenzaldehyde azine
p-Methoxybenzaldazine
4,4′-Dimethoxybenzylideneazine
4-Methoxybenzalazine
4-Methoxybenzaldehyde azine
NSC 1987
4-Methoxybenzaldehyde [(4-methoxyphenyl)methylene]hydrazone
4,4′-Dimethoxybenzaldazine
1,2-Bis(4-methoxybenzylidene)hydrazine
Identifiers:
SMILES:
COc1ccc(C=NN=Cc2ccc(OC)cc2)cc1
InChI:
InChI=1S/C16H16N2O2/c1-19-15-7-3-13(4-8-15)11-17-18-12-14-5-9-16(20-2)10-6-14/h3-12H,1-2H3
Key Properties
Melting Point
165 °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 | 268.32 g/mol | CAS Common Chemistry |
| 268.31600000000003 g/mol | RDKit | |
| 268.121177752 g/mol | RDKit | |
| Canonical SMILES | N(N=CC1=CC=C(OC)C=C1)=CC2=CC=C(OC)C=C2 | CAS Common Chemistry |
| InChI | InChI=1S/C16H16N2O2/c1-19-15-7-3-13(4-8-15)11-17-18-12-14-5-9-16(20-2)10-6-14/h3-12H,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=SVAKQZXLNBBOTG-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 165 °C | CAS Common Chemistry |
| Name | 4-Methoxybenzaldehyde azine | CAS Common Chemistry |
| Heavy Atom Count | 20 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 43.18000000000001 Ų | RDKit |
| LogP | 3.1568000000000014 | RDKit |
| Molar Refractivity | 81.17600000000004 | RDKit |
