Azure II - Corante biológico , CAS No.37247-10-2

CAS: 37247-10-2 Cat. No.: A100311 Fórmula: C₁₆H₁₈N₃S · C₁₅H₁₆N₃S ·2 Cl Peso molecular: 625.68 Número CE: 609-371-9

GRADE & PURITY Biological Stain

Synonyms

Metileno Azure II

Storage

Dessecado

Shipped In

Normal

Visão geral

Um corante orgânico heterotricíclico.

Specifications

Sinónimos

Metileno Azure II

Especificações e pureza

Corante biológico

Condições de armazenamento de armazenamento

Dessecado

Enviado em

Normal

Grau

Biological Stain

Nomes e identificadores

• Pubchem Sid: 508813204
• Sorrisos canónicos: CNC1=CC2=C(C=C1)N=C3C=CC(=[N+](C)C)C=C3S2.CN(C)C1=CC2=C(C=C1)N=C3C=CC(=[N+](C)C)C=C3S2.[Cl-].[Cl-]
• IUPAC Name: [7-(dimethylamino)phenothiazin-3-ylidene]-dimethylazanium;dimethyl-[7-(methylamino)phenothiazin-3-ylidene]azanium;dichloride
• InChIKey: YOWZJZJLXUQHGF-UHFFFAOYSA-M
• INCHI: 1S/C16H18N3S.C15H15N3S.2ClH/c1-18(2)11-5-7-13-15(9-11)20-16-10-12(19(3)4)6-8-14(16)17-13;1-16-10-4-6-12-14(8-10)19-15-9-11(18(2)3)5-7-13(15)17-12;;/h5-10H,1-4H3;4-9H,1-3H3;2*1H/q+1;;;/p-1
• SMILES isoméricas: CNC1=CC2=C(C=C1)N=C3C=CC(=[N+](C)C)C=C3S2.CN(C)C1=CC2=C(C=C1)N=C3C=CC(=[N+](C)C)C=C3S2.[Cl-].[Cl-]
• WGK Alemanha: 3
• Peso molecular: 625.68
• Reaxy-Rn: 28060492
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=28060492&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Benzothiazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Benzothiazines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzothiazines
• Alternative Parents: Dialkylarylamines Secondary alkylarylamines Benzenoids Secondary ketimines Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organic chloride salts Hydrocarbon derivatives
• Molecular Framework: Not available
• Substituents: Benzothiazine - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Secondary aliphatic/aromatic amine - Benzenoid - Heteroaromatic compound - Secondary ketimine - Tertiary amine - Azacycle - Secondary amine - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organic chloride salt - Organic salt - Organonitrogen compound - Amine - Aromatic heteropolycyclic compound
• Descrição: 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

Propriedades químicas e físicas

• Solubilidade: Soluble in water (40 mg/ml), and ethanol (20 mg/ml).
• Ponto de fusão (°C): 185 °C
• Peso molecular: 625.700 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 2
• Exact Mass: 624.166 Da
• Monoisotopic Mass: 624.166 Da
• Topological Polar Surface Area: 96.600 Ų
• Heavy Atom Count: 41
• Formal Charge: 0
• Complexity: 980.000
• 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: 4

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