(1R)-1-(4-aminophenyl)ethan-1-ol

• ChemBase ID: 246429
• Molecular Formular: C8H11NO
• Molecular Mass: 137.17904
• Monoisotopic Mass: 137.08406398
• SMILES: c1(ccc(N)cc1)[C@H](O)C
• Canonical SMILES: C[C@H](c1ccc(cc1)N)O
• InChI: InChI=1S/C8H11NO/c1-6(10)7-2-4-8(9)5-3-7/h2-6,10H,9H2,1H3/t6-/m1/s1
• InChIKey: JDEYBJHOTWGYFE-ZCFIWIBFSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1R)-1-(4-aminophenyl)ethan-1-ol
• IUPAC Traditional name: (1R)-1-(4-aminophenyl)ethanol
• Synonyms: (1R)-1-(4-aminophenyl)ethan-1-ol

Database IDs

• MDL Number: MFCD19204809
• PubChem SID: 164302339
• PubChem CID: 6951271

CALCULATED PROPERTIES

• Acid pKa: 14.922462
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.76309186
• LogD (pH = 7.4): 0.793148
• Log P: 0.7935451
• Molar Refractivity: 41.9931 cm^3
• Polarizability: 15.766248 Å^3
• Polar Surface Area: 46.25 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.186

Product Information

• Purity: 95%