N,N-dibenzyl-4-bromoaniline

• ChemBase ID: 296425
• Molecular Formular: C20H18BrN
• Molecular Mass: 352.26762
• Monoisotopic Mass: 351.06226158
• SMILES: c1ccc(cc1)CN(Cc1ccccc1)c1ccc(cc1)Br
• Canonical SMILES: Brc1ccc(cc1)N(Cc1ccccc1)Cc1ccccc1
• InChI: InChI=1S/C20H18BrN/c21-19-11-13-20(14-12-19)22(15-17-7-3-1-4-8-17)16-18-9-5-2-6-10-18/h1-14H,15-16H2
• InChIKey: RSFLPIGKWXARAL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-dibenzyl-4-bromoaniline
• IUPAC Traditional name: N,N-dibenzyl-4-bromoaniline
• Synonyms: N-(4-Bromophenyl)dibenzylamine; N,N-Dibenzyl-4-bromoaniline; N,N-联苄基-4-溴苯胺

Database IDs

• CAS Number: 65145-14-4
• MDL Number: MFCD09037473
• PubChem SID: 180681956
• PubChem CID: 285423

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 6.298579
• LogD (pH = 7.4): 6.2989836
• Log P: 6.2989883
• Molar Refractivity: 97.3346 cm^3
• Polarizability: 36.978317 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 95%