(2R)-1-amino-3-phenylpropan-2-ol

• ChemBase ID: 796145
• Molecular Formular: C9H13NO
• Molecular Mass: 151.20562
• Monoisotopic Mass: 151.09971404
• SMILES: C([C@@H](Cc1ccccc1)O)N
• Canonical SMILES: NC[C@@H](Cc1ccccc1)O
• InChI: InChI=1S/C9H13NO/c10-7-9(11)6-8-4-2-1-3-5-8/h1-5,9,11H,6-7,10H2/t9-/m1/s1
• InChIKey: JIIXMZQZEAAIJX-SECBINFHSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R)-1-amino-3-phenylpropan-2-ol
• IUPAC Traditional name: (2R)-1-amino-3-phenylpropan-2-ol
• Synonyms: (R)-1-AMino-3-phenylpropan-2-ol

Database IDs

• CAS Number: 133522-39-1

CALCULATED PROPERTIES

• Acid pKa: 14.796512
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.224105
• LogD (pH = 7.4): -1.2365766
• Log P: 0.7573405
• Molar Refractivity: 45.2489 cm^3
• Polarizability: 17.931671 Å^3
• Polar Surface Area: 46.25 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%