N-(2-hydroxyphenyl)acetamide

• ChemBase ID: 21821
• Molecular Formular: C8H9NO2
• Molecular Mass: 151.16256
• Monoisotopic Mass: 151.06332853
• SMILES: N(c1c(O)cccc1)C(=O)C
• Canonical SMILES: CC(=O)Nc1ccccc1O
• InChI: InChI=1S/C8H9NO2/c1-6(10)9-7-4-2-3-5-8(7)11/h2-5,11H,1H3,(H,9,10)
• InChIKey: ADVGKWPZRIDURE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-hydroxyphenyl)acetamide
• IUPAC Traditional name: O-hydroxyacetanilide
• Synonyms: 2'-Hydroxyacetanilide; 2-Acetamidophenol; o-ACETAMINOPHENOL; N-(2-Hydroxyphenyl)acetamide; N-(2-Hydroxyphenyl)acetamide; 2-Acetamidophenol; 2′-Hydroxyacetanilide; 2-Acetamidophenol; 2-(Acetylamino)phenol; 2-(N-Acetylamino)phenol; 2-Acetaminophenol; 2-Hydroxyacetanilide; o-(Acetylamino)phenol; NSC 3989; 2-乙酸胺基苯酚; 2′-羟基乙酰苯胺; 2-乙酰胺基苯酚

Database IDs

• CAS Number: 614-80-2
• EC Number: 210-396-9
• MDL Number: MFCD00002181
• Beilstein Number: 607592
• PubChem SID: 160985128; 24891161; 24845009
• PubChem CID: 11972

CALCULATED PROPERTIES

• Acid pKa: 8.790328
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.9071698
• LogD (pH = 7.4): 0.8901773
• Log P: 0.90739083
• Molar Refractivity: 42.9019 cm^3
• Polarizability: 15.817942 Å^3
• Polar Surface Area: 49.33 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 205-210 °C(lit.); 205-210°C; 213 - 215°C
• Hydrophobicity(logP): 0.724

Safety Information

• Storage Warning: IRRITANT
• RTECS: AE4025000
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38; 36/38
• Safety Statements: 26-36; 26-37
• TSCA Listed: false; 是
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319; H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A; P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: ≥97.0% (HPLC); 95%; 95+%; 97%; 98%
• Grade: technical
• Linear Formula: CH3CONHC6H4OH

DETAILS

MP Biomedicals - 05211371

MP Biomedicals Rare Chemical collection

Sigma Aldrich - A7000

Packaging
25, 100 g in glass bottle

Toronto Research Chemicals - A158490

An Acetaminophen (A161220) impurity.