(tert-butylamino)triphenylphosphanium bromide

• ChemBase ID: 82106
• Molecular Formular: C22H25BrNP
• Molecular Mass: 414.318361
• Monoisotopic Mass: 413.09079844
• SMILES: [P+](c1ccccc1)(c1ccccc1)(c1ccccc1)NC(C)(C)C.[Br-]
• Canonical SMILES: CC(N[P+](c1ccccc1)(c1ccccc1)c1ccccc1)(C)C.[Br-]
• InChI: InChI=1S/C22H25NP.BrH/c1-22(2,3)23-24(19-13-7-4-8-14-19,20-15-9-5-10-16-20)21-17-11-6-12-18-21;/h4-18,23H,1-3H3;1H/q+1;/p-1
• InChIKey: UHNSSPPSNVBDIN-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: (tert-butylamino)triphenylphosphanium bromide
• IUPAC Traditional name: (tert-butylamino)triphenylphosphanium bromide
• Synonyms: (tert-butylamino)(triphenyl)phosphonium bromide

Database IDs

• MDL Number: MFCD00050218
• PubChem SID: 162069225
• PubChem CID: 2778100

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 5.1764264
• LogD (pH = 7.4): 5.177703
• Log P: 5.177719
• Molar Refractivity: 115.0401 cm^3
• Polarizability: 41.53058 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: false