N-(2-hydroxyethyl)benzamide

• ChemBase ID: 284114
• Molecular Formular: C9H11NO2
• Molecular Mass: 165.18914
• Monoisotopic Mass: 165.0789786
• SMILES: C(=O)(c1ccccc1)NCCO
• Canonical SMILES: OCCNC(=O)c1ccccc1
• InChI: InChI=1S/C9H11NO2/c11-7-6-10-9(12)8-4-2-1-3-5-8/h1-5,11H,6-7H2,(H,10,12)
• InChIKey: ZKSYUNLBFSOENV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-hydroxyethyl)benzamide
• IUPAC Traditional name: N-(2-hydroxyethyl)benzamide
• Synonyms: N-(2-hydroxyethyl)benzamide

Database IDs

• MDL Number: MFCD00523802
• PubChem SID: 180669645
• PubChem CID: 569526

CALCULATED PROPERTIES

• Acid pKa: 14.881128
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.35746
• LogD (pH = 7.4): 0.35746014
• Log P: 0.35746017
• Molar Refractivity: 46.3254 cm^3
• Polarizability: 17.46663 Å^3
• Polar Surface Area: 49.33 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 60 - 62°C
• Hydrophobicity(logP): 0.3

Product Information

• Purity: 95%