N-ethyl-3-methylbenzamide

• ChemBase ID: 301035
• Molecular Formular: C10H13NO
• Molecular Mass: 163.21632
• Monoisotopic Mass: 163.09971404
• SMILES: CCNC(=O)c1cccc(c1)C
• Canonical SMILES: CCNC(=O)c1cccc(c1)C
• InChI: InChI=1S/C10H13NO/c1-3-11-10(12)9-6-4-5-8(2)7-9/h4-7H,3H2,1-2H3,(H,11,12)
• InChIKey: FPINATACRXASTP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-ethyl-3-methylbenzamide
• IUPAC Traditional name: benzamide, N-ethyl-3-methyl-
• Synonyms: N-Ethyl-3-methylbenzamide

Database IDs

• CAS Number: 26819-07-8
• MDL Number: MFCD00496601

CALCULATED PROPERTIES

• Acid pKa: 15.088908
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.9177912
• LogD (pH = 7.4): 1.9177915
• Log P: 1.9177915
• Molar Refractivity: 49.8229 cm^3
• Polarizability: 18.606504 Å^3
• Polar Surface Area: 29.1 Å^2
• Rotatable Bonds: 2
• 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%