N,N'-Bis(5-hydroxysalicylidene)ethylenediamine - ≥98% , CAS No.124061-43-4

CAS: 124061-43-4 Cat. No.: N159757 Molecular Weight: 300.31 EC Number: 678-223-3

GRADE & PURITY ≥98%

Synonyms

A805194 | N,N'-Ethylenebis(5-hydroxysalicylideneimine) | 2-[(E)-2-[(E)-(2,5-Dihydroxyphenyl)methyleneamino]ethyliminomethyl]benzene-1,4-diol | T70166 | N,N-Bis (2,5-dihydroxybenzylidene)ethylenediamine | AKOS016015568 | B3015 | FT-0643021 | Fmoc-(R)-3-Ami

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

A805194 | N, N'-Ethylenebis(5-hydroxysalicylideneimine) | 2-[(E)-2-[(E)-(2, 5-Dihydroxyphenyl)methyleneamino]ethyliminomethyl]benzene-1, 4-diol | T70166 | N, N-Bis (2, 5-dihydroxybenzylidene)ethylenediamine | AKOS016015568 | B3015 | FT-0643021 | Fmoc-(R)-3-Ami

Specifications & Purity

≥98%

Storage

Store at 2-8°C

Shipped In

Wet ice

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

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488192523
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488192523
• Canonical Smiles: C1=CC(=C(C=C1O)C=NCCN=CC2=C(C=CC(=C2)O)O)O
• IUPAC Name: 2-[2-[(2,5-dihydroxyphenyl)methylideneamino]ethyliminomethyl]benzene-1,4-diol
• InChIKey: KQVXRKRRCLZZKX-UHFFFAOYSA-N
• INCHI: 1S/C16H16N2O4/c19-13-1-3-15(21)11(7-13)9-17-5-6-18-10-12-8-14(20)2-4-16(12)22/h1-4,7-10,19-22H,5-6H2
• Isomeric SMILES: C1=CC(=C(C=C1O)C=NCCN=CC2=C(C=CC(=C2)O)O)O
• Molecular Weight: 300.31
• Reaxy-Rn: 16978392
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=16978392&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Phenols
      • Subclass Benzenediols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Phenols
• Subclass: Benzenediols
• Intermediate Tree Nodes: Not available
• Direct Parent: Hydroquinones
• Alternative Parents: 1-hydroxy-2-unsubstituted benzenoids Benzene and substituted derivatives Shiff bases Propargyl-type 1,3-dipolar organic compounds Organopnictogen compounds Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Hydroquinone - 1-hydroxy-2-unsubstituted benzenoid - Monocyclic benzene moiety - Shiff base - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Aldimine - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Imine - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as hydroquinones. These are compounds containing a hydroquinone moiety, which consists of a benzene ring with a hydroxyl groups at positions 1 and 4.
• 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

• Melt Point(°C): 250 °C
• Molecular Weight: 300.310 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 300.111 Da
• Monoisotopic Mass: 300.111 Da
• Topological Polar Surface Area: 106.000 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 352.000
• 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: 1