2-(diphenylphosphanyl)aniline

• ChemBase ID: 798645
• Molecular Formular: C18H16NP
• Molecular Mass: 277.300101
• Monoisotopic Mass: 277.10203615
• SMILES: P(c1ccccc1)(c1ccccc1)c1c(cccc1)N
• Canonical SMILES: Nc1ccccc1P(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C18H16NP/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,19H2
• InChIKey: WIJJGRVJLNMTCI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(diphenylphosphanyl)aniline
• IUPAC Traditional name: 2-(diphenylphosphanyl)aniline
• Synonyms: (2-aminophenyl)diphenylphosphine

Database IDs

• CAS Number: 65423-44-1

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 4.322325
• LogD (pH = 7.4): 4.3233867
• Log P: 4.3234
• Molar Refractivity: 86.3233 cm^3
• Polarizability: 33.44969 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%