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Molecule
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
Identifiers
CAS Registry Number
588-68-1
SMILES
C(=NN=Cc1ccccc1)c1ccccc1
InChI Key
CWLGEPSKQDNHIO-UHFFFAOYSA-N
InChI
InChI=1S/C14H12N2/c1-3-7-13(8-4-1)11-15-16-12-14-9-5-2-6-10-14/h1-12H
Names and Synonyms
- Benzalazine Common Name
- Benzaldehyde, 2-(phenylmethylene)hydrazone Synonym
- Benzaldehyde, azine Synonym
- Benzaldehyde, (phenylmethylene)hydrazone Synonym
- Dibenzylidenehydrazine Synonym
- Dibenzalhydrazine Synonym
- 1,4-Diphenylformalazine Synonym
- Benzalazine Synonym
- Benzaldazine Synonym
- Benzaldazin Synonym
- Benzylideneazine Synonym
- Eusolex 6653 Synonym
- 1,4-Diphenyl-2,3-diaza-1,3-butadiene Synonym
- NSC 3269 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 208.26 g/mol | CAS Common Chemistry |
| 208.264 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 |
| 3.1396 | RDKit | |
| Molar Refractivity | 68.07200000000003 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 208.100048384 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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20
0 ppm
| 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 = 208.26 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C14H12N2.
