N-(2-hydroxyethyl)-2-phenylacetamide

• ChemBase ID: 42322
• Molecular Formular: C10H13NO2
• Molecular Mass: 179.21572
• Monoisotopic Mass: 179.09462866
• SMILES: C(=O)(NCCO)Cc1ccccc1
• Canonical SMILES: OCCNC(=O)Cc1ccccc1
• InChI: InChI=1S/C10H13NO2/c12-7-6-11-10(13)8-9-4-2-1-3-5-9/h1-5,12H,6-8H2,(H,11,13)
• InChIKey: QNVPXZQZKQWBJW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 6269-99-4
• MDL Number: MFCD00043506
• PubChem SID: 162047085
• PubChem CID: 80449

CALCULATED PROPERTIES

• Acid pKa: 15.3552265
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.33762553
• LogD (pH = 7.4): 0.33762553
• Log P: 0.33762553
• Molar Refractivity: 50.3768 cm^3
• Polarizability: 19.518898 Å^3
• Polar Surface Area: 49.33 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 59 - 61 °C; 59-61°C

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%