N-(2-hydroxy-5-methylphenyl)acetamide

• ChemBase ID: 85729
• Molecular Formular: C9H11NO2
• Molecular Mass: 165.18914
• Monoisotopic Mass: 165.0789786
• SMILES: N(c1cc(ccc1O)C)C(=O)C
• Canonical SMILES: CC(=O)Nc1cc(C)ccc1O
• InChI: InChI=1S/C9H11NO2/c1-6-3-4-9(12)8(5-6)10-7(2)11/h3-5,12H,1-2H3,(H,10,11)
• InChIKey: DSEQJUPGRWESKP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-hydroxy-5-methylphenyl)acetamide
• IUPAC Traditional name: N-(2-hydroxy-5-methylphenyl)acetamide
• Synonyms: 2-Acetamido-4-methylphenol; 2-Acetamido-p-cresol; 2-Acetamido-4-methylphenol; 2'-Hydroxy-5'-methylacetanilide; N1-(2-hydroxy-5-methylphenyl)acetamide; 2'-羟基-5'-甲基乙酰苯胺

Database IDs

• CAS Number: 6375-17-3
• EC Number: 228-934-6
• MDL Number: MFCD00020183
• PubChem SID: 162072845
• PubChem CID: 292583

CALCULATED PROPERTIES

• Acid pKa: 9.144574
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.4207144
• LogD (pH = 7.4): 1.4131099
• Log P: 1.4208122
• Molar Refractivity: 47.9431 cm^3
• Polarizability: 17.579138 Å^3
• Polar Surface Area: 49.33 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 147-151°C

Safety Information

• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 97%