N,N-diethyl-4-hydroxybenzamide

• ChemBase ID: 278994
• Molecular Formular: C11H15NO2
• Molecular Mass: 193.2423
• Monoisotopic Mass: 193.11027873
• SMILES: C(=O)(c1ccc(cc1)O)N(CC)CC
• Canonical SMILES: CCN(C(=O)c1ccc(cc1)O)CC
• InChI: InChI=1S/C11H15NO2/c1-3-12(4-2)11(14)9-5-7-10(13)8-6-9/h5-8,13H,3-4H2,1-2H3
• InChIKey: WLRVSRJKZYZCJY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-diethyl-4-hydroxybenzamide
• IUPAC Traditional name: N,N-diethyl-4-hydroxybenzamide
• Synonyms: N,N-diethyl-4-hydroxybenzamide

Database IDs

• MDL Number: MFCD01120247
• PubChem SID: 164334904
• PubChem CID: 504154

CALCULATED PROPERTIES

• Acid pKa: 8.462592
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.680818
• LogD (pH = 7.4): 1.6454695
• Log P: 1.6812888
• Molar Refractivity: 56.4079 cm^3
• Polarizability: 21.12777 Å^3
• Polar Surface Area: 40.54 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 120 - 122°C
• Hydrophobicity(logP): 1.539

Product Information

• Purity: 95%