Tris(4-aminophenyl)amine(TAPA) - ≥97% , CAS No.5981-09-9

CAS: 5981-09-9 Cat. No.: T121339 Peso molecular: 290.37 Beilstein Registry Number: 13113 Número EC: 227-791-7 PubChem CID: 80083

GRADE & PURITY ≥97%

Synonyms

Tris(4-aminophenyl)amine | 1,4-Benzenediamine, N,N-bis(4-aminophenyl)- | TRIS(P-AMINOPHENYL)AMINE | 4,4',4''-Triaminotriphenylamine | N1,N1-bis(4-aminophenyl)benzene-1,4-diamine | 4-N,4-N-bis(4-aminophenyl)benzene-1,4-diamine | TAPA

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

Tris(4-aminophenyl)amine | 1, 4-Benzenediamine, N, N-bis(4-aminophenyl)- | TRIS(P-AMINOPHENYL)AMINE | 4, 4', 4''-Triaminotriphenylamine | N1, N1-bis(4-aminophenyl)benzene-1, 4-diamine | 4-N, 4-N-bis(4-aminophenyl)benzene-1, 4-diamine | TAPA

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Argon charged

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 504755436
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504755436
• Sonrisas canónicas: C1=CC(=CC=C1N)N(C2=CC=C(C=C2)N)C3=CC=C(C=C3)N
• IUPAC Name: 4-N,4-N-bis(4-aminophenyl)benzene-1,4-diamine
• InChIKey: SNLFYGIUTYKKOE-UHFFFAOYSA-N
• INCHI: 1S/C18H18N4/c19-13-1-7-16(8-2-13)22(17-9-3-14(20)4-10-17)18-11-5-15(21)6-12-18/h1-12H,19-21H2
• Isómeros SMILES: C1=CC(=CC=C1N)N(C2=CC=C(C=C2)N)C3=CC=C(C=C3)N
• PubChem CID: 80083
• Peso molecular: 290.37
• Beilstein: 13113
• Reaxy-Rn: 2812659

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Clase Organonitrogen compounds
      • Subclass Amines
        • Level5 Tertiary amines
          • Level6 Triarylamines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Clase: Organonitrogen compounds
• Subclass: Amines
• Intermediate Tree Nodes: Tertiary amines
• Direct Parent: Triarylamines
• Alternative Parents: Aniline and substituted anilines Primary amines Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Tertiary aromatic amine - Aniline or substituted anilines - Benzenoid - Monocyclic benzene moiety - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as triarylamines. These are organic compounds containing a trialkylamine group, characterized by exactly three aryl groups bonded to the amino nitrogen.
• 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

Propiedades químicas y físicas

• Solubilidad: Slightly soluble in water.
• Sensibilidad: Air Sensitive
• Punto de fusión (°C): 230°C
• Peso molecular: 290.400 g/mol
• XLogP3: 3.100
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 290.153 Da
• Monoisotopic Mass: 290.153 Da
• Topological Polar Surface Area: 81.300 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 272.000
• 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

Referencias

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