2-methoxy-N-propylbenzamide

• ChemBase ID: 301005
• Molecular Formular: C11H15NO2
• Molecular Mass: 193.2423
• Monoisotopic Mass: 193.11027873
• SMILES: CCCNC(=O)c1ccccc1OC
• Canonical SMILES: CCCNC(=O)c1ccccc1OC
• InChI: InChI=1S/C11H15NO2/c1-3-8-12-11(13)9-6-4-5-7-10(9)14-2/h4-7H,3,8H2,1-2H3,(H,12,13)
• InChIKey: DQBXKRNGBFVBLY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methoxy-N-propylbenzamide
• IUPAC Traditional name: 2-methoxy-N-propylbenzamide
• Synonyms: 2-Methoxy-N-n-propylbenzamide

Database IDs

• CAS Number: 550300-22-6
• MDL Number: MFCD01611811

CALCULATED PROPERTIES

• Acid pKa: 14.156491
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.7692212
• LogD (pH = 7.4): 1.7692212
• Log P: 1.7692213
• Molar Refractivity: 55.7689 cm^3
• Polarizability: 21.202015 Å^3
• Polar Surface Area: 38.33 Å^2
• Rotatable Bonds: 4
• 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%