N,N′-Bis(salicylidene)ethylenediaminocobalt(II) - ≥95% , CAS No.14167-18-1

CAS: 14167-18-1 Cat. No.: N138212 Molecular Weight: 325.23 EC Number: 238-012-5

GRADE & PURITY ≥95%

Synonyms

COBALT, ((2,2'-(1,2-ETHANEDIYLBIS((NITRILO- .KAPPA.N)METHYLIDYNE))BIS(PHENOLATO-.KAPPA.O))(2-))-, (SP-4-2)- | SALCOMINE [HSDB] | AKOS015914817 | RD3-0171 | COBALT, ((2,2'-(1,2- ETHANEDIYLBIS(NITRILOMETHYLIDYNE))BIS(PHENOLATO))(2-)- N,N',O,O')-, (SP-4-2)-

Storage

Argon charged,Room temperature

Shipped In

Normal

Overview

application：

Salcomine catalyzes the oxidation of 2,6-disubstituted phenols by dioxygen. Experimental inhibitor of human cytµloviris proteinase activity. Metal complex dyes used as redox catalysts.

Specifications

Synonyms

COBALT, ((2, 2'-(1, 2-ETHANEDIYLBIS((NITRILO- .KAPPA.N)METHYLIDYNE))BIS(PHENOLATO-.KAPPA.O))(2-))-, (SP-4-2)- | SALCOMINE [HSDB] | AKOS015914817 | RD3-0171 | COBALT, ((2, 2'-(1, 2- ETHANEDIYLBIS(NITRILOMETHYLIDYNE))BIS(PHENOLATO))(2-)- N, N', O, O')-, (SP-4-2)-

Specifications & Purity

≥95%

Storage

Argon charged, Room temperature

Shipped In

Normal

Action Type

INHIBITOR

Purity

≥95%

Names and Identifiers

• Pubchem Sid: 488183020
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488183020
• Canonical Smiles: C1=CC=C(C(=C1)C=NCCN=CC2=CC=CC=C2[O-])[O-].[Co+2]
• IUPAC Name: cobalt(2+);2-[2-[(2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate
• InChIKey: NPAQSKHBTMUERN-UHFFFAOYSA-L
• 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
• Isomeric SMILES: C1=CC=C(C(=C1)C=NCCN=CC2=CC=CC=C2[O-])[O-].[Co+2]
• WGK Germany: 3
• RTECS: GG0590000
• Molecular Weight: 325.23
• Reaxy-Rn: 3805088
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3805088&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Phenoxides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Phenoxides
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenoxides
• Alternative Parents: Shiff bases Propargyl-type 1,3-dipolar organic compounds Organooxygen compounds Organic zwitterions Organic oxides Organic cobalt salts Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenoxide - Shiff base - Aldimine - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic transition metal salt - Organic salt - Imine - Organic zwitterion - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organic cobalt salt - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenoxides. These are salts or analogous metal derivatives of phenols.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Solubility: Insoluble in water. Soluble in benzene, chloroform, and pyridine.
• Sensitivity: air sensitive
• Molecular Weight: 325.230 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 325.039 Da
• Monoisotopic Mass: 325.039 Da
• Topological Polar Surface Area: 70.800 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 298.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

XLogP3

References

1. Runkun Zhang, Yanhui Zhong, Yufei Hu, Yi Chen, Ling Xia, Gongke Li.  (2024)  Liquid-Phase Cyclic Chemiluminescence for the Identification of Cobalt Speciation.  ANALYTICAL CHEMISTRY,      [PMID:38359085] [10.1021/acs.analchem.3c05864]