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Molecule
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
Identifiers
CAS Registry Number
94-93-9
SMILES
Oc1ccccc1C=NCCN=Cc1ccccc1O
InChI Key
VEUMANXWQDHAJV-UHFFFAOYSA-N
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
Names and Synonyms
- Salen Common Name
- Phenol, 2,2′-[1,2-ethanediylbis(nitrilomethylidyne)]bis- Synonym
- o-Cresol, α,α′-(ethylenedinitrilo)di- Synonym
- 2,2′-[1,2-Ethanediylbis(nitrilomethylidyne)]bis[phenol] Synonym
- N,N′-Di(salicylidene)ethylenediamine Synonym
- α,α′-(Ethylenedinitrilo)di-o-cresol Synonym
- 1,2-Ethanediamine, N,N′-bis[(2-hydroxyphenyl)methylene]- Synonym
- Di(salicylidene)ethylenediamine Synonym
- N,N′-Bis(salicylidene)ethylenediamine Synonym
- N,N′-Ethylenebis(salicylideneimine) Synonym
- Disalicylidene-1,2-ethanediamine Synonym
- N,N′-Bis(2-hydroxybenzylidene)ethylenediamine Synonym
- N,N′-Bis(o-hydroxybenzylidene)ethylenediamine Synonym
- Salen Synonym
- Bis(salicylaldehyde)ethylenediimine Synonym
- N,N′-Disalicylidene-1,2-diaminoethane Synonym
- N,N′-Bis(salicylidene)-1,2-ethanediamine Synonym
- Salicylaldehyde ethylenediamine diimine Synonym
- N,N′-Disalicylidene-1,2-ethanediamine Synonym
- Salicylaldehyde ethylenediamine bisimine Synonym
- NSC 2079 Synonym
- 1,2-Bis[[(2-hydroxyphenyl)methylene]amino]ethane Synonym
- 1,2-Ethanedi(salicylaldimine) Synonym
- 1,2-Bis(salicylideneamino)ethane Synonym
- 1,6-Bis(2-hydroxyphenyl)-2,5-diazahexa-1,5-diene Synonym
- N,N′-Ethylenebis(salicylaldimine) Synonym
- N,N′-Bis(salicylidene)ethylene-1,2-diamine Synonym
- N,N′-Bis(2-hydroxybenzylidene)-1,2-ethanediamine Synonym
- 2,2′-((Ethane-1,2-diylbis(azanylylidene))bis(methanylylidene))diphenol Synonym
- N,N′-Ethylenebis(salicylimine) Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 268.32 g/mol | CAS Common Chemistry |
| 268.316 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 |
| 2.6358 | RDKit | |
| Molar Refractivity | 81.13560000000003 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.125 | RDKit |
| 0.12 | chempirical lib | |
| Exact Mass | 268.121177752 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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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.
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MW = 268.32 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C16H16N2O2.
