N-(3-hydroxyphenyl)acetamide

• ChemBase ID: 84799
• Molecular Formular: C8H9NO2
• Molecular Mass: 151.16256
• Monoisotopic Mass: 151.06332853
• SMILES: N(c1cccc(c1)O)C(=O)C
• Canonical SMILES: CC(=O)Nc1cccc(c1)O
• InChI: InChI=1S/C8H9NO2/c1-6(10)9-7-3-2-4-8(11)5-7/h2-5,11H,1H3,(H,9,10)
• InChIKey: QLNWXBAGRTUKKI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(3-hydroxyphenyl)acetamide
• IUPAC Traditional name: M-hydroxyacetanilide
• Synonyms: 3'-Hydroxyacetanilide; 3-Acetamidophenol; m-ACETAMINOPHENOL; 3′-Hydroxyacetanilide; 3-Acetamidophenol; N-(3-Hydroxyphenyl)acetamide; 3-Acetamidophenol; N-(3-hydroxyphenyl)acetamide; 3′-羟基乙酰苯胺; 3-乙酰胺基苯酚; 3-乙酰氨基苯酚

Database IDs

• CAS Number: 621-42-1
• EC Number: 210-687-0
• MDL Number: MFCD00002263
• Beilstein Number: 907998
• PubChem SID: 24845013; 24891188; 162071915
• PubChem CID: 12124

CALCULATED PROPERTIES

• Acid pKa: 9.23775
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.9073119
• LogD (pH = 7.4): 0.90116435
• Log P: 0.90739083
• Molar Refractivity: 42.9019 cm^3
• Polarizability: 15.816717 Å^3
• Polar Surface Area: 49.33 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 145 - 148°C; 145-148 °C; 145-148 °C(lit.); 146-149°C
• Hydrophobicity(logP): 0.494

Safety Information

• Storage Warning: Irritant
• RTECS: AE4100000
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 2
• Risk Statements: 36/37/38
• Safety Statements: 26-36; 26-37
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: ≥98.0% (HPLC); 95%; 97%; 99%
• Grade: technical
• Linear Formula: CH3CONHC6H4OH

DETAILS

MP Biomedicals - 05211377

MP Biomedicals Rare Chemical collection

Sigma Aldrich - A7205

Packaging
25, 100 g in glass bottle