N-hydroxy-2,2-diphenylacetamide

• ChemBase ID: 154689
• Molecular Formular: C14H13NO2
• Molecular Mass: 227.25852
• Monoisotopic Mass: 227.09462866
• SMILES: c1ccc(cc1)C(c1ccccc1)C(=O)NO
• Canonical SMILES: ONC(=O)C(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C14H13NO2/c16-14(15-17)13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13,17H,(H,15,16)
• InChIKey: OFSBBVCLWMCGNY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-hydroxy-2,2-diphenylacetamide
• IUPAC Traditional name: N-hydroxy-2,2-diphenylacetamide
• Synonyms: N-Hydroxy diphenylacetamide; Diphenylacetohydroxamic acid

Database IDs

• CAS Number: 4099-51-8
• MDL Number: MFCD16314231
• PubChem SID: 162248827
• PubChem CID: 239512

CALCULATED PROPERTIES

• Acid pKa: 8.780076
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.4774332
• LogD (pH = 7.4): 2.4600112
• Log P: 2.47766
• Molar Refractivity: 65.6219 cm^3
• Polarizability: 25.429377 Å^3
• Polar Surface Area: 49.33 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: DMSO: >20 mg/mL
• Apperance: off-white to light tan powder

Safety Information

• European Hazard Symbols: Nature polluting (N); Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 22-50
• Safety Statements: 61
• GHS Pictograms: GHS07; GHS09
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H400
• GHS Precautionary statements: P273
• Storage Temperature: 2-8°C

Product Information

• Purity: ≥98% (HPLC)
• Empirical Formula (Hill Notation): C14H13NO2

DETAILS

Sigma Aldrich - D6071

Biochem/physiol Actions
Diphenylacetohydroxamic acid is a class IIa selective histone deacetylase inhibitor.