2-bromo-N,N-diphenylaniline

• ChemBase ID: 796107
• Molecular Formular: C18H14BrN
• Molecular Mass: 324.21446
• Monoisotopic Mass: 323.03096145
• SMILES: N(c1c(cccc1)Br)(c1ccccc1)c1ccccc1
• Canonical SMILES: Brc1ccccc1N(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C18H14BrN/c19-17-13-7-8-14-18(17)20(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-14H
• InChIKey: YPIANBZIVBPMJS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-N,N-diphenylaniline
• IUPAC Traditional name: 2-bromo-N,N-diphenylaniline
• Synonyms: 2-BroMo-N,N-diphenylaniline

Database IDs

• CAS Number: 78600-31-4

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 6.0635586
• LogD (pH = 7.4): 6.0635586
• Log P: 6.0635586
• Molar Refractivity: 86.8413 cm^3
• Polarizability: 33.29333 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Purity: 98%