EUK 134 - ≥99% , CAS No.81065-76-1

CAS: 81065-76-1 Cat. No.: E129541 Molecular Weight: 416.74 PubChem CID: 9823233

GRADE & PURITY ≥99%

Synonyms

Manganese, chloro((2,2'-(1,2-ethanediylbis((nitrilo-kappaN)methylidyne))bis(6-methoxyphenolato-kappaO))(2-))-, (sp-5-13)- | Ethylbisiminomethylguaiacol manganese chloride [INCI] | EUK-134 | UNII-SM5YJ88LTU | s4261 | EUK 134 | EUK 134 ;EUK134;SALEN-MN | et

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

Manganese, chloro((2, 2'-(1, 2-ethanediylbis((nitrilo-kappaN)methylidyne))bis(6-methoxyphenolato-kappaO))(2-))-, (sp-5-13)- | Ethylbisiminomethylguaiacol manganese chloride [INCI] | EUK-134 | UNII-SM5YJ88LTU | s4261 | EUK 134 | EUK 134 ;EUK134;SALEN-MN | et

Specifications & Purity

≥99%

Storage

Protected from light, Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Action Type

INHIBITOR

Purity

≥99%

Names and Identifiers

• Pubchem Sid: 504764915
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504764915
• Canonical Smiles: COC1=CC=CC(=C1[O-])C=NCCN=CC2=C(C(=CC=C2)OC)[O-].[Cl-].[Mn+3]
• IUPAC Name: manganese(3+);2-methoxy-6-[2-[(3-methoxy-2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate;chloride
• InChIKey: YUZJJFWCXJDFOQ-UHFFFAOYSA-K
• INCHI: 1S/C18H20N2O4.ClH.Mn/c1-23-15-7-3-5-13(17(15)21)11-19-9-10-20-12-14-6-4-8-16(24-2)18(14)22;;/h3-8,11-12,21-22H,9-10H2,1-2H3;1H;/q;;+3/p-3
• Isomeric SMILES: COC1=CC=CC(=C1[O-])C=NCCN=CC2=C(C(=CC=C2)OC)[O-].[Cl-].[Mn+3]
• WGK Germany: 3
• PubChem CID: 9823233
• Molecular Weight: 416.74

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Phenol ethers
      • Subclass Anisoles

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Phenol ethers
• Subclass: Anisoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Anisoles
• Alternative Parents: Phenoxy compounds Methoxybenzenes Phenoxides Alkyl aryl ethers Shiff bases Propargyl-type 1,3-dipolar organic compounds Organic transition metal salts Organic metal halides Organic zwitterions Organic oxides Organic chloride salts Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenoxy compound - Anisole - Methoxybenzene - Alkyl aryl ether - Phenoxide - Monocyclic benzene moiety - Shiff base - Aldimine - Organic metal halide - Organic transition metal salt - Ether - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organic zwitterion - Organic salt - Organooxygen compound - Organonitrogen compound - Imine - Organic chloride salt - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as anisoles. These are organic compounds containing a methoxybenzene or a derivative thereof.
• 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

• Sensitivity: Light sensitive
• Molecular Weight: 416.700 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 7
• Exact Mass: 416.034 Da
• Monoisotopic Mass: 416.034 Da
• Topological Polar Surface Area: 89.300 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 378.000
• 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: 3

XLogP3