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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
Names and Synonyms:
Salcomine
Cobalt, [[2,2′-[1,2-ethanediylbis[(nitrilo-κN)methylidyne]]bis[phenolato-κO]](2-)]-, (SP-4-2)-
Cobalt, [[α,α′-(ethylenedinitrilo)di-o-cresolato](2-)]-
Cobalt, [[2,2′-[1,2-ethanediylbis(nitrilomethylidyne)]bis[phenolato]](2-)-N,N′,O,O′]-, (SP-4-2)-
o-Cresol, α,α′-(ethylenedinitrilo)di-, Co deriv.
(SP-4-2)-[[2,2′-[1,2-Ethanediylbis[(nitrilo-κN)methylidyne]]bis[phenolato-κO]](2-)]cobalt
[N,N′-Ethylenebis(salicylaldehyde iminato)]cobalt(II)
[N,N′-Ethylenebis(salicylideniminato)]cobalt
N,N′-Ethylenebis(salicylideniminato)cobalt(II)
Salcomine
Salcomin
Bis(salicylidene)ethylenediaminatocobalt(II)
Cobalt bis(salicylidene)ethylenediamine
[Bis(salicylidene)ethylenediamine]cobalt
Co(salen)
Cobalt salen
[N,N′-Bis(salicylidene)ethylenediaminato]cobalt
[N,N′-Disalicylideneethylenediamine]cobalt
[Bis(salicylidene)ethylenediaminato]cobalt
NSC 32965
(N,N′-Bis(salicylidene)ethylenediamine)cobalt(II)
[2,2′-[Ethane-1,2-diylbis(nitrilomethylidene)]diphenolato]cobalt(II)
[N,N′-Bis(salicylidene)ethane-1,2-diaminato]cobalt(II)
Identifiers:
SMILES:
[Co+2].[O-]c1ccccc1C=NCCN=Cc1ccccc1[O-]
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
Key Properties
Melting Point
>300 °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 | 325.23 g/mol | CAS Common Chemistry |
| 325.233 g/mol | RDKit | |
| 325.03872268799995 g/mol | RDKit | |
| 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 |
| Salcomine | 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 |
| Molar Refractivity | 76.69800000000004 | RDKit |
