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Benzalazine
CAS: 588-68-1 | C14H12N2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
588-68-1
Molecular Formula:
C14H12N2
Molecular Mass:
208.26 g/mol
Names and Synonyms:
Benzalazine
Benzaldehyde, 2-(phenylmethylene)hydrazone
Benzaldehyde, azine
Benzaldehyde, (phenylmethylene)hydrazone
Dibenzylidenehydrazine
Dibenzalhydrazine
1,4-Diphenylformalazine
Benzalazine
Benzaldazine
Benzaldazin
Benzylideneazine
Eusolex 6653
1,4-Diphenyl-2,3-diaza-1,3-butadiene
NSC 3269
Identifiers:
SMILES:
C(=NN=Cc1ccccc1)c1ccccc1
InChI:
InChI=1S/C14H12N2/c1-3-7-13(8-4-1)11-15-16-12-14-9-5-2-6-10-14/h1-12H
Key Properties
Melting Point
152 °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 | 208.26 g/mol | CAS Common Chemistry |
| 208.264 g/mol | RDKit | |
| 208.100048384 g/mol | RDKit | |
| Canonical SMILES | N(N=CC=1C=CC=CC1)=CC=2C=CC=CC2 | CAS Common Chemistry |
| InChI | InChI=1S/C14H12N2/c1-3-7-13(8-4-1)11-15-16-12-14-9-5-2-6-10-14/h1-12H | CAS Common Chemistry |
| InChI Key | InChIKey=CWLGEPSKQDNHIO-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 152 °C | CAS Common Chemistry |
| Name | Benzalazine | CAS Common Chemistry |
| Heavy Atom Count | 16 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 24.72 Ų | RDKit |
| LogP | 3.1396000000000015 | RDKit |
| Molar Refractivity | 68.07200000000003 | RDKit |
