N-ethyl-4-hydroxybenzamide

• ChemBase ID: 275615
• Molecular Formular: C9H11NO2
• Molecular Mass: 165.18914
• Monoisotopic Mass: 165.0789786
• SMILES: C(=O)(c1ccc(cc1)O)NCC
• Canonical SMILES: CCNC(=O)c1ccc(cc1)O
• InChI: InChI=1S/C9H11NO2/c1-2-10-9(12)7-3-5-8(11)6-4-7/h3-6,11H,2H2,1H3,(H,10,12)
• InChIKey: PSNFPNSAOIJCQI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-ethyl-4-hydroxybenzamide
• IUPAC Traditional name: N-ethyl-4-hydroxybenzamide
• Synonyms: N-ethyl-4-hydroxybenzamide

Database IDs

• MDL Number: MFCD11130754
• PubChem SID: 164331525
• PubChem CID: 14746059

CALCULATED PROPERTIES

• Acid pKa: 8.478564
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.1003515
• LogD (pH = 7.4): 1.0662276
• Log P: 1.1008048
• Molar Refractivity: 46.7626 cm^3
• Polarizability: 17.450674 Å^3
• Polar Surface Area: 49.33 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 109 - 111°C
• Hydrophobicity(logP): 1.062

Product Information

• Purity: 95%