Alphamine Red R Base - ≥90%(HPLC) , CAS No.57322-42-6

CAS: 57322-42-6 Cat. No.: A151265 Fórmula: C₂₆H₁₉N₃O₆S₂ Peso molecular: 533.57 PubChem CID: 407428

GRADE & PURITY ≥90%(HPLC)

Synonyms

3-[(4-anilinonaphthalen-1-yl)diazenyl]naphthalene-2,7-disulfonic acid | 2,7-Naphthalenedisulfonic acid, 3-[2-[4-(phenylamino)-1-naphthalenyl]diazenyl]- | 3-(4-ANILINO-1-NAPHTHYLAZO)-2,7-NAPHTHALENEDISULFONICACID | AKOS030228043 | Alphamine Red R Base | AL

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

3-[(4-anilinonaphthalen-1-yl)diazenyl]naphthalene-2,7-disulfonic acid | 2,7-Naphthalenedisulfonic acid, 3-[2-[4-(phenylamino)-1-naphthalenyl]diazenyl]- | 3-(4-ANILINO-1-NAPHTHYLAZO)-2,7-NAPHTHALENEDISULFONICACID | AKOS030228043 | Alphamine Red R Base | AL

Especificações e pureza

≥90%(HPLC)

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥90%(HPLC)

Nomes e identificadores

• Sorrisos canónicos: C1=CC=C(C=C1)NC2=CC=C(C3=CC=CC=C32)N=NC4=C(C=C5C=C(C=CC5=C4)S(=O)(=O)O)S(=O)(=O)O
• IUPAC Name: 3-[(4-anilinonaphthalen-1-yl)diazenyl]naphthalene-2,7-disulfonic acid
• InChIKey: BGHIEJHQLIHWPX-UHFFFAOYSA-N
• INCHI: 1S/C26H19N3O6S2/c30-36(31,32)20-11-10-17-15-25(26(37(33,34)35)16-18(17)14-20)29-28-24-13-12-23(21-8-4-5-9-22(21)24)27-19-6-2-1-3-7-19/h1-16,27H,(H,30,31,32)(H,33,34,35)
• SMILES isoméricas: C1=CC=C(C=C1)NC2=CC=C(C3=CC=CC=C32)N=NC4=C(C=C5C=C(C=CC5=C4)S(=O)(=O)O)S(=O)(=O)O
• PubChem CID: 407428
• Peso molecular: 533.57

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Naphthalenes
      • Subclass Naphthalene sulfonic acids and derivatives
        • Level5 Naphthalene sulfonates
          • Level6 2-naphthalene sulfonates

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Naphthalenes
• Subclass: Naphthalene sulfonic acids and derivatives
• Intermediate Tree Nodes: Naphthalene sulfonates
• Direct Parent: 2-naphthalene sulfonates
• Alternative Parents: 2-naphthalene sulfonic acids and derivatives 1-sulfo,2-unsubstituted aromatic compounds Aniline and substituted anilines Primary aromatic amines Sulfonyls Organosulfonic acids Azo compounds Secondary amines Propargyl-type 1,3-dipolar organic compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: 2-naphthalene sulfonate - 2-naphthalene sulfonic acid or derivatives - Arylsulfonic acid or derivatives - 1-sulfo,2-unsubstituted aromatic compound - Aniline or substituted anilines - Monocyclic benzene moiety - Primary aromatic amine - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Organosulfonic acid - Azo compound - Secondary amine - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Hydrocarbon derivative - Organosulfur compound - Organonitrogen compound - Organic oxide - Organic oxygen compound - Amine - Organic nitrogen compound - Aromatic homopolycyclic compound
• Descrição: This compound belongs to the class of organic compounds known as 2-naphthalene sulfonates. These are organic aromatic compounds that contain a naphthalene moiety that carries a sulfonic acid group at the 2-position. Naphthalene is a bicyclic compound that is made up of two fused benzene ring.
• 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

• Peso molecular: 533.600 g/mol
• XLogP3: 5.200
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 6
• Exact Mass: 533.072 Da
• Monoisotopic Mass: 533.072 Da
• Topological Polar Surface Area: 162.000 Ų
• Heavy Atom Count: 37
• Formal Charge: 0
• Complexity: 1020.000
• 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