N-hydroxybutanamide

• ChemBase ID: 155061
• Molecular Formular: C4H9NO2
• Molecular Mass: 103.11976
• Monoisotopic Mass: 103.06332853
• SMILES: CCCC(=O)NO
• Canonical SMILES: CCCC(=O)NO
• InChI: InChI=1S/C4H9NO2/c1-2-3-4(6)5-7/h7H,2-3H2,1H3,(H,5,6)
• InChIKey: CCBCHURBDSNSTJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-hydroxybutanamide
• IUPAC Traditional name: N-hydroxybutanamide
• Synonyms: N-hydroxybutanamide; Butyrylhydroxamic acid; N-hydroxybutanamide

Database IDs

• CAS Number: 4312-91-8
• MDL Number: MFCD09931604
• PubChem SID: 162249199
• PubChem CID: 419176

CALCULATED PROPERTIES

• Acid pKa: 8.907644
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.11146541
• LogD (pH = 7.4): 0.09840901
• Log P: 0.111634456
• Molar Refractivity: 25.4584 cm^3
• Polarizability: 9.982835 Å^3
• Polar Surface Area: 49.33 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: H2O: ≥25 mg/mL
• Apperance: white to tan powder
• Hydrophobicity(logP): -0.536

Safety Information

• Storage Condition: desiccated
• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 22
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302
• Storage Temperature: -20°C

Product Information

• Purity: ≥98% (HPLC); 95%
• Shipped in: wet ice
• Empirical Formula (Hill Notation): C4H9NO2

DETAILS

Sigma Aldrich - SML0027

Biochem/physiol Actions
Butyryl hydroxamic acid is a cell permeable HDAC inhibitor. Butyryl hydroxamic acid has similar potency against class I HDAC family members as 4-Phenylbutyryl hydroxamic acid (SML0026), but is approximately 5-10 fold less potent against class IIa enzymes than 4-Phenylbutyryl hydroxamic acid.