(2R)-2-amino-2-phenylethan-1-ol

• ChemBase ID: 797375
• Molecular Formular: C8H11NO
• Molecular Mass: 137.17904
• Monoisotopic Mass: 137.08406398
• SMILES: C([C@@H](c1ccccc1)N)O
• Canonical SMILES: OC[C@@H](c1ccccc1)N
• InChI: InChI=1S/C8H11NO/c9-8(6-10)7-4-2-1-3-5-7/h1-5,8,10H,6,9H2/t8-/m0/s1
• InChIKey: IJXJGQCXFSSHNL-QMMMGPOBSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R)-2-amino-2-phenylethan-1-ol
• IUPAC Traditional name: (2R)-2-amino-2-phenylethanol
• Synonyms: (R)-2-AMino-2-phenylethanol

Database IDs

• CAS Number: 56613-80-0

CALCULATED PROPERTIES

• Acid pKa: 15.034467
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.4697678
• LogD (pH = 7.4): -1.2631787
• Log P: 0.4686793
• Molar Refractivity: 40.4939 cm^3
• Polarizability: 16.162655 Å^3
• Polar Surface Area: 46.25 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%