N,N-dibutyl-2-hydroxypropanamide

• ChemBase ID: 297496
• Molecular Formular: C11H23NO2
• Molecular Mass: 201.30582
• Monoisotopic Mass: 201.17287898
• SMILES: CCCCN(CCCC)C(=O)C(C)O
• Canonical SMILES: CCCCN(C(=O)C(O)C)CCCC
• InChI: InChI=1S/C11H23NO2/c1-4-6-8-12(9-7-5-2)11(14)10(3)13/h10,13H,4-9H2,1-3H3
• InChIKey: ZXORIQDKFRZFHV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-dibutyl-2-hydroxypropanamide
• IUPAC Traditional name: N,N-dibutyl-2-hydroxypropanamide
• Synonyms: N,N-Di-n-butyllactamide; N,N-二丁基乙酰胺

Database IDs

• CAS Number: 6288-16-0
• MDL Number: MFCD00086703
• PubChem SID: 180683027
• PubChem CID: 223947

CALCULATED PROPERTIES

• Acid pKa: 13.47517
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.816378
• LogD (pH = 7.4): 1.8163776
• Log P: 1.816378
• Molar Refractivity: 58.2026 cm^3
• Polarizability: 22.817007 Å^3
• Polar Surface Area: 40.54 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• TSCA Listed: 否