N,N-bis(4-bromophenyl)-4-methylaniline

• ChemBase ID: 291830
• Molecular Formular: C19H15Br2N
• Molecular Mass: 417.1371
• Monoisotopic Mass: 414.95712349
• SMILES: Cc1ccc(N(c2ccc(Br)cc2)c2ccc(Br)cc2)cc1
• Canonical SMILES: Cc1ccc(cc1)N(c1ccc(cc1)Br)c1ccc(cc1)Br
• InChI: InChI=1S/C19H15Br2N/c1-14-2-8-17(9-3-14)22(18-10-4-15(20)5-11-18)19-12-6-16(21)7-13-19/h2-13H,1H3
• InChIKey: OMMRSCXBBGEIGA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-bis(4-bromophenyl)-4-methylaniline
• IUPAC Traditional name: N,N-bis(4-bromophenyl)-4-methylaniline
• Synonyms: 4-Bromo-N-(4-bromophenyl)-N-(p-tolyl)aniline

Database IDs

• CAS Number: 100308-67-6
• PubChem SID: 180677361
• PubChem CID: 15404184

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 7.3457327
• LogD (pH = 7.4): 7.3457327
• Log P: 7.3457327
• Molar Refractivity: 99.5053 cm^3
• Polarizability: 37.834198 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Purity: 95+%