N,N-diethyl-2-methoxybenzamide

• ChemBase ID: 300971
• Molecular Formular: C12H17NO2
• Molecular Mass: 207.26888
• Monoisotopic Mass: 207.12592879
• SMILES: CCN(CC)C(=O)c1ccccc1OC
• Canonical SMILES: CCN(C(=O)c1ccccc1OC)CC
• InChI: InChI=1S/C12H17NO2/c1-4-13(5-2)12(14)10-8-6-7-9-11(10)15-3/h6-9H,4-5H2,1-3H3
• InChIKey: ZFIIUAIWXACNKN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-diethyl-2-methoxybenzamide
• IUPAC Traditional name: N,N-diethyl-2-methoxybenzamide
• Synonyms: N,N-Diethyl-2-methoxybenzamide

Database IDs

• CAS Number: 51674-10-3
• MDL Number: MFCD01010706

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.8271828
• LogD (pH = 7.4): 1.8271829
• Log P: 1.8271829
• Molar Refractivity: 60.8902 cm^3
• Polarizability: 23.042591 Å^3
• Polar Surface Area: 29.54 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%