(1R,2S)-2-amino-1,2-diphenylethan-1-ol

• ChemBase ID: 796183
• Molecular Formular: C14H15NO
• Molecular Mass: 213.275
• Monoisotopic Mass: 213.11536411
• SMILES: [C@@H]([C@H](c1ccccc1)N)(O)c1ccccc1
• Canonical SMILES: N[C@H]([C@@H](c1ccccc1)O)c1ccccc1
• InChI: InChI=1S/C14H15NO/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-10,13-14,16H,15H2/t13-,14+/m0/s1
• InChIKey: GEJJWYZZKKKSEV-UONOGXRCSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1R,2S)-2-amino-1,2-diphenylethan-1-ol
• IUPAC Traditional name: (1R,2S)-2-amino-1,2-diphenylethanol
• Synonyms: (1R,2S)-2-AMino-1,2-diphenylethanol

Database IDs

• CAS Number: 23190-16-1

CALCULATED PROPERTIES

• Acid pKa: 13.783489
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -0.67245746
• LogD (pH = 7.4): 0.57994777
• Log P: 2.2529194
• Molar Refractivity: 64.7767 cm^3
• Polarizability: 25.791145 Å^3
• Polar Surface Area: 46.25 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 96%