N-[4-(2-ethoxyethyl)phenyl]acetamide

• ChemBase ID: 298436
• Molecular Formular: C12H17NO2
• Molecular Mass: 207.26888
• Monoisotopic Mass: 207.12592879
• SMILES: CCOCCc1ccc(cc1)NC(=O)C
• Canonical SMILES: CCOCCc1ccc(cc1)NC(=O)C
• InChI: InChI=1S/C12H17NO2/c1-3-15-9-8-11-4-6-12(7-5-11)13-10(2)14/h4-7H,3,8-9H2,1-2H3,(H,13,14)
• InChIKey: ZVAIKEPLEOLYLC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[4-(2-ethoxyethyl)phenyl]acetamide
• IUPAC Traditional name: N-[4-(2-ethoxyethyl)phenyl]acetamide
• Synonyms: N-(4-Butoxyphenyl)acetamide; 4'-n-Butoxyacetanilide; 4-正丁氧基苯胺乙酰

Database IDs

• CAS Number: 23563-26-0
• EC Number: 245-739-1
• MDL Number: MFCD00027197
• PubChem SID: 180683967
• PubChem CID: 73995586

CALCULATED PROPERTIES

• Acid pKa: 14.609108
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.732202
• LogD (pH = 7.4): 1.732202
• Log P: 1.732202
• Molar Refractivity: 61.9917 cm^3
• Polarizability: 23.183847 Å^3
• Polar Surface Area: 38.33 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 100-114°C

Safety Information

• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 43
• Safety Statements: 24-37-60
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Hazard statements: H317
• GHS Precautionary statements: P261-P280-P302+P352-P321-P363-P501A

Product Information

• Purity: 98%