N,N-diethyl-3-hydroxybenzamide

• ChemBase ID: 279028
• Molecular Formular: C11H15NO2
• Molecular Mass: 193.2423
• Monoisotopic Mass: 193.11027873
• SMILES: C(=O)(c1cc(O)ccc1)N(CC)CC
• Canonical SMILES: CCN(C(=O)c1cccc(c1)O)CC
• InChI: InChI=1S/C11H15NO2/c1-3-12(4-2)11(14)9-6-5-7-10(13)8-9/h5-8,13H,3-4H2,1-2H3
• InChIKey: QDQUCSOCEMEZOC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-diethyl-3-hydroxybenzamide
• IUPAC Traditional name: N,N-diethyl-3-hydroxybenzamide
• Synonyms: N,N-diethyl-3-hydroxybenzamide

Database IDs

• MDL Number: MFCD11130615
• PubChem SID: 164334938
• PubChem CID: 13159769

CALCULATED PROPERTIES

• Acid pKa: 8.818521
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.6810812
• LogD (pH = 7.4): 1.6651366
• Log P: 1.6812888
• Molar Refractivity: 56.4079 cm^3
• Polarizability: 21.128395 Å^3
• Polar Surface Area: 40.54 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 80 - 82°C
• Hydrophobicity(logP): 1.539

Product Information

• Purity: 95%