Azure A eosinate , CAS No.62298-43-5

CAS: 62298-43-5 Cat. No.: A331880 Molecular Weight: 1158.59 EC Number: 263-491-2 PubChem CID: 13736

Storage

Room temperature

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Overview

Azure A eosinate is a dye useful in hematological and histological applications.

Specifications

Storage

Room temperature

Shipped In

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Names and Identifiers

• Pubchem Sid: 488181900
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488181900
• IUPAC Name: (7-aminophenothiazin-3-ylidene)-dimethylazanium
• InChIKey: HMYISFASHDWPMO-UHFFFAOYSA-O
• INCHI: 1S/C14H13N3S/c1-17(2)10-4-6-12-14(8-10)18-13-7-9(15)3-5-11(13)16-12/h3-8,15H,1-2H3/p+1
• Isomeric SMILES: C[N+](=C1C=CC2=NC3=C(C=C(C=C3)N)SC2=C1)C
• WGK Germany: 3
• PubChem CID: 13736
• Molecular Weight: 1158.59

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Benzothiazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Benzothiazines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzothiazines
• Alternative Parents: Benzenoids Secondary ketimines Heteroaromatic compounds Azacyclic compounds Primary amines Organopnictogen compounds Hydrocarbon derivatives Organic cations
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzothiazine - Benzenoid - Heteroaromatic compound - Secondary ketimine - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Amine - Organic cation - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as benzothiazines. These are organic compounds containing a benzene fused to a thiazine ring (a six-membered ring with four carbon atoms, one nitrogen atom and one sulfur atom).
• 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

• Molecular Weight: 256.350 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 256.091 Da
• Monoisotopic Mass: 256.091 Da
• Topological Polar Surface Area: 66.700 Ų
• Heavy Atom Count: 18
• Formal Charge: 1
• Complexity: 483.000
• 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