1-(2-aminophenyl)ethan-1-ol

• ChemBase ID: 262076
• Molecular Formular: C8H11NO
• Molecular Mass: 137.17904
• Monoisotopic Mass: 137.08406398
• SMILES: c1(c(N)cccc1)C(O)C
• Canonical SMILES: CC(c1ccccc1N)O
• InChI: InChI=1S/C8H11NO/c1-6(10)7-4-2-3-5-8(7)9/h2-6,10H,9H2,1H3
• InChIKey: WBIYLDMSLIXZJK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-aminophenyl)ethan-1-ol
• IUPAC Traditional name: 1-(2-aminophenyl)ethanol
• Synonyms: 1-(2-aminophenyl)ethan-1-ol

Database IDs

• MDL Number: MFCD12198838
• PubChem SID: 164317986
• PubChem CID: 112058

CALCULATED PROPERTIES

• Acid pKa: 14.779854
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.7888133
• LogD (pH = 7.4): 0.7934852
• Log P: 0.7935451
• Molar Refractivity: 41.9931 cm^3
• Polarizability: 15.766644 Å^3
• Polar Surface Area: 46.25 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.136

Product Information

• Purity: 95%