N-(4-hydroxyphenyl)acetamide potassium hydride sulfate

• ChemBase ID: 813502
• Molecular Formular: C8H9KNO6S--
• Molecular Mass: 286.32346
• Monoisotopic Mass: 285.97876469
• SMILES: [K].S(=O)(=O)([O-])[O-].CC(=O)Nc1ccc(O)cc1
• Canonical SMILES: [O-]S(=O)(=O)[O-].CC(=O)Nc1ccc(cc1)O.[K]
• InChI: InChI=1S/C8H9NO2.K.H2O4S/c1-6(10)9-7-2-4-8(11)5-3-7;;1-5(2,3)4/h2-5,11H,1H3,(H,9,10);;(H2,1,2,3,4)/p-2
• InChIKey: TVVNNBAQROYHIM-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(4-hydroxyphenyl)acetamide potassium hydride sulfate
• IUPAC Traditional name: acetaminophen potassium hydride sulfate
• Synonyms: ACETAMINOPHEN SULPHATE POTASSIUM SALT

Database IDs

• CAS Number: 32113-41-0

CALCULATED PROPERTIES

• Acid pKa: 9.464366
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.907344
• LogD (pH = 7.4): 0.9036841
• Log P: 0.90739083
• Molar Refractivity: 42.9019 cm^3
• Polarizability: 15.815965 Å^3
• Polar Surface Area: 49.33 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%