structure of N-benzyl-N-phenylaniline

N-benzyl-N-phenylaniline

CAS No.: 606-87-1
M. Wt: 259.34500
M. Fa: C19H17N
InChI Key: FKJARBPQBIATJT-UHFFFAOYSA-N
Appearance: Yellow Solid

Names and Identifiers of N-benzyl-N-phenylaniline

CAS Number

606-87-1

EC Number

210-127-5

IUPAC Name

N-benzyl-N-phenylaniline

InChI

InChI=1S/C19H17N/c1-4-10-17(11-5-1)16-20(18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15H,16H2

InChIKey

FKJARBPQBIATJT-UHFFFAOYSA-N

Canonical SMILES

C1=CC=C(C=C1)CN(C2=CC=CC=C2)C3=CC=CC=C3

Physical and chemical properties of N-benzyl-N-phenylaniline

Boiling Point

409.2ºC at 760 mmHg

Density

1.104g/cm3

Exact Mass

259.13600

Flash Point

179.4ºC

Index of Refraction

1.642

LogP

5.02490

Melting Point

88-89℃ (ethanol )

Molecular Formula

C19H17N

Molecular Weight

259.34500

PSA

3.24000

Storage condition

Sealed in dry,Room Temperature

Safety Information of N-benzyl-N-phenylaniline

Pictograms

Signal Word

Warning

Safety Data Sheet

Supports customized editing of SDS information and downloading in PDF documents.

Applications of N-benzyl-N-phenylaniline

N-benzyl-N-phenylaniline has several applications in various fields:

  • Pharmaceutical Industry: Due to its biological activity, it is explored as a potential drug candidate for treating disorders related to serotonin receptor dysfunction.
  • Organic Synthesis: It serves as an important intermediate in the synthesis of more complex organic molecules, including pharmaceuticals and agrochemicals.
  • Material Science: Compounds like N-benzyl-N-phenylaniline are investigated for their properties in polymer chemistry and as additives in various formulations.

Biological Activity of N-benzyl-N-phenylaniline

Research has indicated that N-benzyl-N-phenylaniline exhibits notable biological activities. It has been studied for its interaction with serotonin receptors, specifically the 5-HT2A. This compound may act as an agonist at these receptors, indicating potential applications in neuropharmacology.

Physical sample testing spectrum (NMR) of N-benzyl-N-phenylaniline

Physical sample testing spectrum (NMR) of N-benzyl-N-phenylaniline

Retrosynthesis analysis of N-benzyl-N-phenylaniline

  • Route#1

    Cas:100-44-7
    Cas:122-39-4
    Cas:606-87-1
  • Route#2

    Cas:100-52-7
    Cas:122-39-4
    Cas:606-87-1