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

• ChemBase ID: 796111
• Molecular Formular: C8H11NO
• Molecular Mass: 137.17904
• Monoisotopic Mass: 137.08406398
• SMILES: [C@@H](CN)(O)c1ccccc1
• Canonical SMILES: NC[C@@H](c1ccccc1)O
• InChI: InChI=1S/C8H11NO/c9-6-8(10)7-4-2-1-3-5-7/h1-5,8,10H,6,9H2/t8-/m0/s1
• InChIKey: ULSIYEODSMZIPX-QMMMGPOBSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 2549-14-6

CALCULATED PROPERTIES

• Acid pKa: 14.128325
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.4663498
• LogD (pH = 7.4): -1.2471365
• Log P: 0.4686793
• Molar Refractivity: 40.4939 cm^3
• Polarizability: 16.16097 Å^3
• Polar Surface Area: 46.25 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%