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Salicylaldazine
CAS: 959-36-4 | C14H12N2O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
959-36-4
Molecular Formula:
C14H12N2O2
Molecular Mass:
240.26 g/mol
Names and Synonyms:
Salicylaldazine
Benzaldehyde, 2-hydroxy-, 2-[(2-hydroxyphenyl)methylene]hydrazone
Salicylaldehyde, azine
Benzaldehyde, 2-hydroxy-, [(2-hydroxyphenyl)methylene]hydrazone
Salicylaldazine
Salicylalazine
Salicylazine
2,2′-Dihydroxybenzalazine
Salazine
o-Hydroxybenzaldazine
N,N′-Bis(salicylidene)hydrazine
NSC 695048
NSC 864
Bis[2-hydroxybenzaldehyde] hydrazone
Identifiers:
SMILES:
Oc1ccccc1C=NN=Cc1ccccc1O
InChI:
InChI=1S/C14H12N2O2/c17-13-7-3-1-5-11(13)9-15-16-10-12-6-2-4-8-14(12)18/h1-10,17-18H
Key Properties
Melting Point
213 °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 | 240.26 g/mol | CAS Common Chemistry |
| 240.262 g/mol | RDKit | |
| 240.089877624 g/mol | RDKit | |
| Canonical SMILES | OC=1C=CC=CC1C=NN=CC=2C=CC=CC2O | CAS Common Chemistry |
| InChI | InChI=1S/C14H12N2O2/c17-13-7-3-1-5-11(13)9-15-16-10-12-6-2-4-8-14(12)18/h1-10,17-18H | CAS Common Chemistry |
| InChI Key | InChIKey=STOVYWBRBMYHPC-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 213 °C | CAS Common Chemistry |
| Name | Salicylaldazine | CAS Common Chemistry |
| Heavy Atom Count | 18 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 65.18 Ų | RDKit |
| LogP | 2.550800000000001 | RDKit |
| Molar Refractivity | 71.40160000000002 | RDKit |
