N-(2-methoxyphenyl)acetamide

• ChemBase ID: 106783
• Molecular Formular: C9H11NO2
• Molecular Mass: 165.18914
• Monoisotopic Mass: 165.0789786
• SMILES: COc1ccccc1NC(=O)C
• Canonical SMILES: COc1ccccc1NC(=O)C
• InChI: InChI=1S/C9H11NO2/c1-7(11)10-8-5-3-4-6-9(8)12-2/h3-6H,1-2H3,(H,10,11)
• InChIKey: FGOFNVXHDGQVBG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-methoxyphenyl)acetamide
• IUPAC Traditional name: O-methoxyacetanilide
• Synonyms: O-ACETANICIDINE; o-Acetanisidide; N-(2-Methoxyphenyl)acetamide; 邻甲氧基乙酰苯胺; 2-乙酰氨基苯甲醚

Database IDs

• CAS Number: 93-26-5
• EC Number: 202-233-5
• MDL Number: MFCD00026117
• PubChem SID: 24872018; 162093220
• PubChem CID: 7135

CALCULATED PROPERTIES

• Acid pKa: 12.608131
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.0532849
• LogD (pH = 7.4): 1.0532824
• Log P: 1.0532849
• Molar Refractivity: 47.3842 cm^3
• Polarizability: 17.726551 Å^3
• Polar Surface Area: 38.33 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 70-74 °C(lit.)
• Boiling Point: 303-305 °C(lit.)

Safety Information

• RTECS: AE8280000
• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 22-36/37/38
• Safety Statements: 26-36
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 95%
• Linear Formula: CH3CONHC6H4OCH3

DETAILS

MP Biomedicals - 05201404

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 485063

Packaging
100 g in glass bottle