2-(diphenylamino)ethan-1-ol

• ChemBase ID: 294269
• Molecular Formular: C14H15NO
• Molecular Mass: 213.275
• Monoisotopic Mass: 213.11536411
• SMILES: OCCN(c1ccccc1)c1ccccc1
• Canonical SMILES: OCCN(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C14H15NO/c16-12-11-15(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,16H,11-12H2
• InChIKey: CMQZETQFZHIYJG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(diphenylamino)ethan-1-ol
• IUPAC Traditional name: diphenylaminoethanol
• Synonyms: 2-Diphenylaminoethanol

Database IDs

• CAS Number: 6315-51-1
• PubChem SID: 180679800
• PubChem CID: 80586

CALCULATED PROPERTIES

• Acid pKa: 15.564826
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.9467285
• LogD (pH = 7.4): 2.9467454
• Log P: 2.9467456
• Molar Refractivity: 65.7332 cm^3
• Polarizability: 25.393902 Å^3
• Polar Surface Area: 23.47 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%