2-(4-hydroxyphenyl)acetamide

• ChemBase ID: 85812
• Molecular Formular: C8H9NO2
• Molecular Mass: 151.16256
• Monoisotopic Mass: 151.06332853
• SMILES: O=C(Cc1ccc(cc1)O)N
• Canonical SMILES: NC(=O)Cc1ccc(cc1)O
• InChI: InChI=1S/C8H9NO2/c9-8(11)5-6-1-3-7(10)4-2-6/h1-4,10H,5H2,(H2,9,11)
• InChIKey: YBPAYPRLUDCSEY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-hydroxyphenyl)acetamide
• IUPAC Traditional name: P-hydroxy-phenylacetamide
• Synonyms: 4-Hydroxyphenylacetamide; 2-(4-hydroxyphenyl)acetamide; 4-Hydroxyphenylacetamide; 4-羟基苯乙酰胺

Database IDs

• CAS Number: 17194-82-0
• EC Number: 241-235-0
• MDL Number: MFCD00017145
• Beilstein Number: 2085984
• PubChem SID: 162072928; 24864185
• PubChem CID: 86986

CALCULATED PROPERTIES

• Acid pKa: 9.497352
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.50044274
• LogD (pH = 7.4): 0.49704927
• Log P: 0.5004862
• Molar Refractivity: 41.1687 cm^3
• Polarizability: 15.825805 Å^3
• Polar Surface Area: 63.32 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 173-175°C; 173-178°C; 176-178 °C(lit.)

Safety Information

• Storage Warning: Irritant
• RTECS: AC3851500
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• 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: 97%; 98%; 99%
• Linear Formula: HOC6H4CH2CONH2

DETAILS

Sigma Aldrich - 387738

Packaging
5 g in glass bottle