2-aminophenol hydrochloride

• ChemBase ID: 294199
• Molecular Formular: C6H8ClNO
• Molecular Mass: 145.58682
• Monoisotopic Mass: 145.02944156
• SMILES: Oc1ccccc1N.Cl
• Canonical SMILES: Nc1ccccc1O.Cl
• InChI: InChI=1S/C6H7NO.ClH/c7-5-3-1-2-4-6(5)8;/h1-4,8H,7H2;1H
• InChIKey: QUDZAFKCASPJLX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-aminophenol hydrochloride
• IUPAC Traditional name: 2-aminophenol hydrochloride
• Synonyms: 2-Aminophenol hydrochloride

Database IDs

• CAS Number: 51-19-4
• MDL Number: MFCD00035471
• PubChem SID: 180679730
• PubChem CID: 5800

CALCULATED PROPERTIES

• Acid pKa: 10.349432
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.7979417
• LogD (pH = 7.4): 0.83962935
• Log P: 0.84075457
• Molar Refractivity: 32.7393 cm^3
• Polarizability: 12.071578 Å^3
• Polar Surface Area: 46.25 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%