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Salen
CAS: 94-93-9 | C16H16N2O2
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
94-93-9
Molecular Formula:
C16H16N2O2
Molecular Mass:
268.32 g/mol
Names and Synonyms:
Salen
Phenol, 2,2′-[1,2-ethanediylbis(nitrilomethylidyne)]bis-
o-Cresol, α,α′-(ethylenedinitrilo)di-
2,2′-[1,2-Ethanediylbis(nitrilomethylidyne)]bis[phenol]
N,N′-Di(salicylidene)ethylenediamine
α,α′-(Ethylenedinitrilo)di-o-cresol
1,2-Ethanediamine, N,N′-bis[(2-hydroxyphenyl)methylene]-
Di(salicylidene)ethylenediamine
N,N′-Bis(salicylidene)ethylenediamine
N,N′-Ethylenebis(salicylideneimine)
Disalicylidene-1,2-ethanediamine
N,N′-Bis(2-hydroxybenzylidene)ethylenediamine
N,N′-Bis(o-hydroxybenzylidene)ethylenediamine
Salen
Bis(salicylaldehyde)ethylenediimine
N,N′-Disalicylidene-1,2-diaminoethane
N,N′-Bis(salicylidene)-1,2-ethanediamine
Salicylaldehyde ethylenediamine diimine
N,N′-Disalicylidene-1,2-ethanediamine
Salicylaldehyde ethylenediamine bisimine
NSC 2079
1,2-Bis[[(2-hydroxyphenyl)methylene]amino]ethane
1,2-Ethanedi(salicylaldimine)
1,2-Bis(salicylideneamino)ethane
1,6-Bis(2-hydroxyphenyl)-2,5-diazahexa-1,5-diene
N,N′-Ethylenebis(salicylaldimine)
N,N′-Bis(salicylidene)ethylene-1,2-diamine
N,N′-Bis(2-hydroxybenzylidene)-1,2-ethanediamine
2,2′-((Ethane-1,2-diylbis(azanylylidene))bis(methanylylidene))diphenol
N,N′-Ethylenebis(salicylimine)
Identifiers:
SMILES:
Oc1ccccc1C=NCCN=Cc1ccccc1O
InChI:
InChI=1S/C16H16N2O2/c19-15-7-3-1-5-13(15)11-17-9-10-18-12-14-6-2-4-8-16(14)20/h1-8,11-12,19-20H,9-10H2
Key Properties
Melting Point
125.5 °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 |
| 268.316 g/mol | RDKit | |
| 268.121177752 g/mol | RDKit | |
| Canonical SMILES | OC=1C=CC=CC1C=NCCN=CC=2C=CC=CC2O | CAS Common Chemistry |
| InChI | InChI=1S/C16H16N2O2/c19-15-7-3-1-5-13(15)11-17-9-10-18-12-14-6-2-4-8-16(14)20/h1-8,11-12,19-20H,9-10H2 | CAS Common Chemistry |
| InChI Key | InChIKey=VEUMANXWQDHAJV-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 125.5 °C | CAS Common Chemistry |
| Name | Salen | CAS Common Chemistry |
| Heavy Atom Count | 20 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 65.18 Ų | RDKit |
| LogP | 2.635800000000002 | RDKit |
| Molar Refractivity | 81.13560000000003 | RDKit |
