2-ethoxybenzamide

• ChemBase ID: 109595
• Molecular Formular: C9H11NO2
• Molecular Mass: 165.18914
• Monoisotopic Mass: 165.0789786
• SMILES: CCOc1ccccc1C(=O)N
• Canonical SMILES: CCOc1ccccc1C(=O)N
• InChI: InChI=1S/C9H11NO2/c1-2-12-8-6-4-3-5-7(8)9(10)11/h3-6H,2H2,1H3,(H2,10,11)
• InChIKey: SBNKFTQSBPKMBZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-ethoxybenzamide
• IUPAC Traditional name: 2-ethoxy-benzamide; 2-ethoxybenzamide
• Synonyms: o-ETHOXYBENZAMIDE; Ethenzamide; 2-Ethoxybenzamide; 2-乙氧基苯甲酰胺

Database IDs

• CAS Number: 938-73-8
• EC Number: 213-346-4
• MDL Number: MFCD00007977
• Merck Index: 143731
• PubChem SID: 162096285; 24894554
• PubChem CID: 3282
• ATC CODE: N02BA07
• Chemspider ID: 3167
• KEGG ID: D01466
• Unique Ingredient Identifier: L929ZCK4BF
• Wikipedia Title: Ethenzamide

CALCULATED PROPERTIES

• Acid pKa: 13.684026
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.0230227
• LogD (pH = 7.4): 1.023023
• Log P: 1.0230228
• Molar Refractivity: 46.3482 cm^3
• Polarizability: 17.523893 Å^3
• Polar Surface Area: 52.32 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 131-134°C; 132-134 °C(lit.)

Safety Information

• RTECS: CU4381000; CV4900000
• German water hazard class: 2
• TSCA Listed: 是
• GHS Hazard statements: H303
• GHS Precautionary statements: P312
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: 97%
• Linear Formula: C2H5OC6H4CONH2

DETAILS

MP Biomedicals - 05211728

MP Biomedicals Rare Chemical collection

Sigma Aldrich - E4402

Packaging
5 g in glass bottle