3-amino-3-(4-phenylphenyl)propan-1-ol

• ChemBase ID: 811390
• Molecular Formular: C15H17NO
• Molecular Mass: 227.30158
• Monoisotopic Mass: 227.13101417
• SMILES: C(CC(c1ccc(cc1)c1ccccc1)N)O
• Canonical SMILES: OCCC(c1ccc(cc1)c1ccccc1)N
• InChI: InChI=1S/C15H17NO/c16-15(10-11-17)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9,15,17H,10-11,16H2
• InChIKey: UNUNOVQUYQLLAO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-amino-3-(4-phenylphenyl)propan-1-ol
• IUPAC Traditional name: 3-amino-3-(4-phenylphenyl)propan-1-ol
• Synonyms: 3-AMINO-3-BIPHENYL-4-YL-PROPAN-1-OL

Database IDs

• CAS Number: 790227-30-4

CALCULATED PROPERTIES

• Acid pKa: 15.912958
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -0.7985899
• LogD (pH = 7.4): 0.23505725
• Log P: 2.1758645
• Molar Refractivity: 70.4955 cm^3
• Polarizability: 29.070105 Å^3
• Polar Surface Area: 46.25 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%