N,N'-Bis(3-methylphenyl)-N,N'-bis(phenyl)benzidine - ≥99% , CAS No.65181-78-4

CAS: 65181-78-4 Cat. No.: B105657 Summenformel: C₃₈H₃₂N₂ Molekulargewicht: 516.67 EG-Nummer: 413-810-8

GRADE & PURITY ≥99%

Synonyms

2,5-Dichloroaniline (NH2=1) | SCHEMBL36913 | (1,1'-Biphenyl)-4,4'-diamine, N,N'-bis(3-methylphenyl)-N,N'-diphenyl- | A8857 | N,N'-Bis(3-methylphenyl)-N,N'-diphenylbenzidine | N,N'-diphenyl-N,N'-bis(3-methylphenyl)-[1,1'-biphenyl]-4,4'-diamine | N,N'-Bis(3

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

2,5-Dichloroaniline (NH2=1) | SCHEMBL36913 | (1,1'-Biphenyl)-4,4'-diamine, N,N'-bis(3-methylphenyl)-N,N'-diphenyl- | A8857 | N,N'-Bis(3-methylphenyl)-N,N'-diphenylbenzidine | N,N'-diphenyl-N,N'-bis(3-methylphenyl)-[1,1'-biphenyl]-4,4'-diamine | N,N'-Bis(3

Spezifikationen & Reinheit

≥99%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥99%

Namen und Kennungen

Pubchem Sid

488187326

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488187326

Kanonisches Lächeln

CC1=CC(=CC=C1)N(C2=CC=CC=C2)C3=CC=C(C=C3)C4=CC=C(C=C4)N(C5=CC=CC=C5)C6=CC=CC(=C6)C

IUPAC Name

3-methyl-N-[4-[4-(N-(3-methylphenyl)anilino)phenyl]phenyl]-N-phenylaniline

InChIKey

OGGKVJMNFFSDEV-UHFFFAOYSA-N

INCHI

1S/C38H32N2/c1-29-11-9-17-37(27-29)39(33-13-5-3-6-14-33)35-23-19-31(20-24-35)32-21-25-36(26-22-32)40(34-15-7-4-8-16-34)38-18-10-12-30(2)28-38/h3-28H,1-2H3

Isomere SMILES

CC1=CC(=CC=C1)N(C2=CC=CC=C2)C3=CC=C(C=C3)C4=CC=C(C=C4)N(C5=CC=CC=C5)C6=CC=CC(=C6)C

WGK Deutschland

2

UN-Nummer

3077

Molekulargewicht

516.67

Reaxy-Rn

4278249

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4278249&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Klasse Organonitrogen compounds
      • Subclass Amines
        • Ebene5 Tertiary amines
          • Ebene6 Triarylamines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Klasse: Organonitrogen compounds
• Subclass: Amines
• Intermediate Tree Nodes: Tertiary amines
• Direct Parent: Triarylamines
• Alternative Parents: Biphenyls and derivatives Aniline and substituted anilines Aminotoluenes Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Tertiary aromatic amine - Biphenyl - Aminotoluene - Aniline or substituted anilines - Toluene - Benzenoid - Monocyclic benzene moiety - Organopnictogen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Löslichkeit: Insoluble in water
• Schmelzpunkt (°C): 170-171°C
• Molekulargewicht: 516.700 g/mol
• XLogP3: 10.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 7
• Exact Mass: 516.257 Da
• Monoisotopic Mass: 516.257 Da
• Topological Polar Surface Area: 6.500 Ų
• Heavy Atom Count: 40
• Formal Charge: 0
• Complexity: 660.000
• 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