N-(5-amino-2-hydroxyphenyl)acetamide

• ChemBase ID: 43620
• Molecular Formular: C8H10N2O2
• Molecular Mass: 166.1772
• Monoisotopic Mass: 166.07422757
• SMILES: c1(NC(=O)C)cc(N)ccc1O
• Canonical SMILES: CC(=O)Nc1cc(N)ccc1O
• InChI: InChI=1S/C8H10N2O2/c1-5(11)10-7-4-6(9)2-3-8(7)12/h2-4,12H,9H2,1H3,(H,10,11)
• InChIKey: MHEVFARIRDCFEO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(5-amino-2-hydroxyphenyl)acetamide
• IUPAC Traditional name: N-(5-amino-2-hydroxyphenyl)acetamide
• Synonyms: N-(5-Amino-2-hydroxyphenyl)acetamide

Database IDs

• CAS Number: 23184-60-3
• MDL Number: MFCD12025926
• PubChem SID: 162048383
• PubChem CID: 19357439

CALCULATED PROPERTIES

• Polar Surface Area: 75.35 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• Acid pKa: 9.667353
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): -0.041581467
• LogD (pH = 7.4): 0.07413036
• Log P: 0.07846491
• Molar Refractivity: 47.6023 cm^3
• Polarizability: 16.970888 Å^3

PROPERTIES

Physical Property

• Melting Point: 162 °C; 162°C

Safety Information

• Storage Warning: IRRITANT; Irritant
• TSCA Listed: false

Product Information

• Purity: >95%