N-(3-ethoxyphenyl)acetamide

• ChemBase ID: 296044
• Molecular Formular: C10H13NO2
• Molecular Mass: 179.21572
• Monoisotopic Mass: 179.09462866
• SMILES: CCOc1cccc(c1)NC(=O)C
• Canonical SMILES: CCOc1cccc(c1)NC(=O)C
• InChI: InChI=1S/C10H13NO2/c1-3-13-10-6-4-5-9(7-10)11-8(2)12/h4-7H,3H2,1-2H3,(H,11,12)
• InChIKey: YVTBOWVWYXJHLD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(3-ethoxyphenyl)acetamide
• IUPAC Traditional name: 3-ethoxyacetanilide
• Synonyms: 3-Acetophenetidide; 3'-Ethoxyacetanilide; 3'-乙氧基乙酰苯胺

Database IDs

• CAS Number: 591-33-3
• EC Number: 209-713-3
• MDL Number: MFCD00061110
• PubChem SID: 180681575
• PubChem CID: 11570

CALCULATED PROPERTIES

• Acid pKa: 13.94351
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.4100928
• LogD (pH = 7.4): 1.4100927
• Log P: 1.4100928
• Molar Refractivity: 52.1328 cm^3
• Polarizability: 19.564804 Å^3
• Polar Surface Area: 38.33 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 95-98°C

Safety Information

• RTECS: AM4300000
• European Hazard Symbols: X
• Risk Statements: 22
• Safety Statements: 36
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Hazard statements: H302
• GHS Precautionary statements: P264-P270-P301+P312-P330-P501A

Product Information

• Purity: 99+%