ACID YELLOW 11 - Biological stain , CAS No.6359-82-6

CAS: 6359-82-6 Cat. No.: A189176 Molecular Weight: 380.35 EC Number: 228-808-0

GRADE & PURITY Biological Stain

Synonyms

6359-82-6|Sodium 4-(3-hydroxy-5-methyl-4-phenylazopyrazol-2-yl)benzenesulphonate|ACIDYELLOW11|DTXSID5047451|sodium;4-(3-methyl-5-oxo-4-phenyldiazenyl-4H-pyrazol-1-yl)benzenesulfonate|starbld0016530|Acid Brilliant Yellow G|UNII-ED6O1DCO98|SCHEMBL342266|CHE

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

6359-82-6 | Sodium 4-(3-hydroxy-5-methyl-4-phenylazopyrazol-2-yl)benzenesulphonate | ACIDYELLOW11 | DTXSID5047451 | sodium;4-(3-methyl-5-oxo-4-phenyldiazenyl-4H-pyrazol-1-yl)benzenesulfonate | starbld0016530 | Acid Brilliant Yellow G | UNII-ED6O1DCO98 | SCHEMBL342266 | CHE

Specifications & Purity

Biological stain

Storage

Room temperature

Shipped In

Normal

Grade

Biological Stain

Names and Identifiers

• Pubchem Sid: 488200480
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488200480
• Canonical Smiles: CC1=NN(C(=O)C1N=NC2=CC=CC=C2)C3=CC=C(C=C3)S(=O)(=O)[O-].[Na+]
• IUPAC Name: sodium;4-(3-methyl-5-oxo-4-phenyldiazenyl-4H-pyrazol-1-yl)benzenesulfonate
• InChIKey: UDTJJVCMRRCRDB-UHFFFAOYSA-M
• INCHI: 1S/C16H14N4O4S.Na/c1-11-15(18-17-12-5-3-2-4-6-12)16(21)20(19-11)13-7-9-14(10-8-13)25(22,23)24;/h2-10,15H,1H3,(H,22,23,24);/q;+1/p-1
• Isomeric SMILES: CC1=NN(C(=O)C1N=NC2=CC=CC=C2)C3=CC=C(C=C3)S(=O)(=O)[O-].[Na+]
• Molecular Weight: 380.35
• Reaxy-Rn: 32685654
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=32685654&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives
• Direct Parent: Alpha amino acids and derivatives
• Alternative Parents: Benzenesulfonic acids and derivatives Benzenesulfonyl compounds 1-sulfo,2-unsubstituted aromatic compounds Pyrazolones Sulfonyls Organosulfonic acids Azo compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic sodium salts Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic cations
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Alpha-amino acid or derivatives - Benzenesulfonate - Arylsulfonic acid or derivatives - Benzenesulfonyl group - 1-sulfo,2-unsubstituted aromatic compound - Monocyclic benzene moiety - Pyrazolinone - Benzenoid - Pyrazoline - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Azo compound - Azacycle - Organic alkali metal salt - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic sodium salt - Organic nitrogen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organic oxygen compound - Organic salt - Organic oxide - Hydrocarbon derivative - Organic cation - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), 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

• Molecular Weight: 380.400 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 4
• Exact Mass: 380.056 Da
• Monoisotopic Mass: 380.056 Da
• Topological Polar Surface Area: 123.000 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 662.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

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