N-ethyl-2-methoxybenzamide

• ChemBase ID: 300684
• Molecular Formular: C10H13NO2
• Molecular Mass: 179.21572
• Monoisotopic Mass: 179.09462866
• SMILES: CCNC(=O)c1ccccc1OC
• Canonical SMILES: CCNC(=O)c1ccccc1OC
• InChI: InChI=1S/C10H13NO2/c1-3-11-10(12)8-6-4-5-7-9(8)13-2/h4-7H,3H2,1-2H3,(H,11,12)
• InChIKey: HWTVJVGXJUQTTL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-ethyl-2-methoxybenzamide
• IUPAC Traditional name: N-ethyl-2-methoxybenzamide
• Synonyms: N-Ethyl-2-methoxybenzamide

Database IDs

• CAS Number: 91341-99-0
• MDL Number: MFCD01611810

CALCULATED PROPERTIES

• Acid pKa: 14.160161
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.2466987
• LogD (pH = 7.4): 1.2466989
• Log P: 1.2466989
• Molar Refractivity: 51.2449 cm^3
• Polarizability: 19.362257 Å^3
• Polar Surface Area: 38.33 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37-60
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501

Product Information

• Purity: 97%