4-hydroxy-N,N-dimethylbutanamide

• ChemBase ID: 270961
• Molecular Formular: C6H13NO2
• Molecular Mass: 131.17292
• Monoisotopic Mass: 131.09462866
• SMILES: C(=O)(N(C)C)CCCO
• Canonical SMILES: OCCCC(=O)N(C)C
• InChI: InChI=1S/C6H13NO2/c1-7(2)6(9)4-3-5-8/h8H,3-5H2,1-2H3
• InChIKey: WIKMJRHPNGPQRH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-hydroxy-N,N-dimethylbutanamide
• IUPAC Traditional name: 4-hydroxy-N,N-dimethylbutanamide
• Synonyms: 4-hydroxy-N,N-dimethylbutanamide

Database IDs

• MDL Number: MFCD16073601
• PubChem SID: 164326871
• PubChem CID: 13000816

CALCULATED PROPERTIES

• Acid pKa: 15.9555435
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.87451065
• LogD (pH = 7.4): -0.8745103
• Log P: -0.8745103
• Molar Refractivity: 35.4159 cm^3
• Polarizability: 13.634642 Å^3
• Polar Surface Area: 40.54 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.765

Product Information

• Purity: 95%