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Molecule
Salcomine
CAS: 14167-18-1 · C16H14CoN2O2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 14167-18-1
- Molecular Formula
- C16H14CoN2O2
- Molecular Mass
- 325.23 g/mol
Identifiers
CAS Registry Number
14167-18-1
SMILES
[Co+2].[O-]c1ccccc1C=NCCN=Cc1ccccc1[O-]
InChI Key
NPAQSKHBTMUERN-UHFFFAOYSA-L
InChI
InChI=1S/C16H16N2O2.Co/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;/q;+2/p-2
Names and Synonyms
- Salcomine Common Name
- Cobalt, [[2,2′-[1,2-ethanediylbis[(nitrilo-κN)methylidyne]]bis[phenolato-κO]](2-)]-, (SP-4-2)- Synonym
- Cobalt, [[α,α′-(ethylenedinitrilo)di-o-cresolato](2-)]- Synonym
- Cobalt, [[2,2′-[1,2-ethanediylbis(nitrilomethylidyne)]bis[phenolato]](2-)-N,N′,O,O′]-, (SP-4-2)- Synonym
- o-Cresol, α,α′-(ethylenedinitrilo)di-, Co deriv. Synonym
- (SP-4-2)-[[2,2′-[1,2-Ethanediylbis[(nitrilo-κN)methylidyne]]bis[phenolato-κO]](2-)]cobalt Synonym
- [N,N′-Ethylenebis(salicylaldehyde iminato)]cobalt(II) Synonym
- [N,N′-Ethylenebis(salicylideniminato)]cobalt Synonym
- N,N′-Ethylenebis(salicylideniminato)cobalt(II) Synonym
- Salcomine Synonym
- Salcomin Synonym
- Bis(salicylidene)ethylenediaminatocobalt(II) Synonym
- Cobalt bis(salicylidene)ethylenediamine Synonym
- [Bis(salicylidene)ethylenediamine]cobalt Synonym
- Co(salen) Synonym
- Cobalt salen Synonym
- [N,N′-Bis(salicylidene)ethylenediaminato]cobalt Synonym
- [N,N′-Disalicylideneethylenediamine]cobalt Synonym
- [Bis(salicylidene)ethylenediaminato]cobalt Synonym
- NSC 32965 Synonym
- (N,N′-Bis(salicylidene)ethylenediamine)cobalt(II) Synonym
- [2,2′-[Ethane-1,2-diylbis(nitrilomethylidene)]diphenolato]cobalt(II) Synonym
- [N,N′-Bis(salicylidene)ethane-1,2-diaminato]cobalt(II) Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 325.23 g/mol | CAS Common Chemistry |
| 325.233 g/mol | RDKit | |
| 329.265 g/mol | chempirical lib | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Salcomine | CAS Common Chemistry |
| Canonical SMILES | [O-]1C=2C=CC=CC2C=[N]3CC[N]4=CC=5C=CC=CC5[O-][Co+2]134 | CAS Common Chemistry |
| InChI | InChI=1S/C16H16N2O2.Co/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;/q;+2/p-2 | CAS Common Chemistry |
| InChI Key | InChIKey=NPAQSKHBTMUERN-UHFFFAOYSA-L | CAS Common Chemistry |
| Melting Point | >300 °C | CAS Common Chemistry |
| Name | Cobalt salen | CAS Common Chemistry |
| Heavy Atom Count | 21 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 70.84 Ų | RDKit |
| LogP | 1.3692999999999997 | RDKit |
| 1.3693 | RDKit | |
| Molar Refractivity | 76.69800000000004 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.125 | RDKit |
| 0.12 | chempirical lib | |
| Exact Mass | 325.03872268799995 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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20
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| 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.
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MW = 325.23 g/mol. Edit any field — others recompute live.
