N,N'-Di-p-tolylbenzidine - ≥98% , CAS No.10311-61-2

CAS: 10311-61-2 Cat. No.: D102504 Formula: C₂₆H₂₄N₂ Molecular Weight: 364.48 Beilstein Registry Number: 13(3)432

GRADE & PURITY ≥98%

Synonyms

AKOS015901856 | F15211 | [1,1'-Biphenyl]-4,4'-diamine, N,N'-bis(4-methylphenyl)- | A855250 | AC-28769 | N4,N4'-Di-p-tolyl-[1,1'-biphenyl]-4,4'-diamine | 4-methyl-N-[4-[4-(4-methylanilino)phenyl]phenyl]aniline | N-(4-METHYLPHENYL)-4-{4-[(4-METHYLPHENYL)AMI

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

AKOS015901856 | F15211 | [1,1'-Biphenyl]-4,4'-diamine, N,N'-bis(4-methylphenyl)- | A855250 | AC-28769 | N4,N4'-Di-p-tolyl-[1,1'-biphenyl]-4,4'-diamine | 4-methyl-N-[4-[4-(4-methylanilino)phenyl]phenyl]aniline | N-(4-METHYLPHENYL)-4-{4-[(4-METHYLPHENYL)AMI

Specifications & Purity

≥98%

Storage

Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

Pubchem Sid

504768795

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504768795

Canonical Smiles

CC1=CC=C(C=C1)NC2=CC=C(C=C2)C3=CC=C(C=C3)NC4=CC=C(C=C4)C

IUPAC Name

4-methyl-N-[4-[4-(4-methylanilino)phenyl]phenyl]aniline

InChIKey

YUPJJGHTTBDCIK-UHFFFAOYSA-N

INCHI

1S/C26H24N2/c1-19-3-11-23(12-4-19)27-25-15-7-21(8-16-25)22-9-17-26(18-10-22)28-24-13-5-20(2)6-14-24/h3-18,27-28H,1-2H3

Isomeric SMILES

CC1=CC=C(C=C1)NC2=CC=C(C=C2)C3=CC=C(C=C3)NC4=CC=C(C=C4)C

Molecular Weight

364.48

Beilstein

13(3)432

Reaxy-Rn

2763348

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2763348&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Biphenyls and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Biphenyls and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Biphenyls and derivatives
• Alternative Parents: Aniline and substituted anilines Aminotoluenes Primary aromatic amines Secondary amines Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Biphenyl - Aminotoluene - Aniline or substituted anilines - Toluene - Primary aromatic amine - Secondary amine - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Amine - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as biphenyls and derivatives. These are organic compounds containing to benzene rings linked together by a C-C bond.
• 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

• Sensitivity: Light Sensitive
• x_melt_point_char: 240°C
• Molecular Weight: 364.500 g/mol
• XLogP3: 7.400
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 364.194 Da
• Monoisotopic Mass: 364.194 Da
• Topological Polar Surface Area: 24.100 Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 389.000
• 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