2-[(1R)-1-aminoethyl]phenol

• ChemBase ID: 287434
• Molecular Formular: C8H11NO
• Molecular Mass: 137.17904
• Monoisotopic Mass: 137.08406398
• SMILES: Oc1ccccc1[C@H](N)C
• Canonical SMILES: C[C@H](c1ccccc1O)N
• InChI: InChI=1S/C8H11NO/c1-6(9)7-4-2-3-5-8(7)10/h2-6,10H,9H2,1H3/t6-/m1/s1
• InChIKey: ZWKWKJWRIYGQFD-ZCFIWIBFSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(1R)-1-aminoethyl]phenol
• IUPAC Traditional name: 2-[(1R)-1-aminoethyl]phenol
• Synonyms: (R)-2-(1-Aminoethyl)phenol

Database IDs

• CAS Number: 123983-05-1
• PubChem SID: 180672965
• PubChem CID: 11105425

CALCULATED PROPERTIES

• Acid pKa: 8.292634
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.7374277
• LogD (pH = 7.4): -0.61741465
• Log P: 0.2175477
• Molar Refractivity: 40.9311 cm^3
• Polarizability: 16.146685 Å^3
• Polar Surface Area: 46.25 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%