N-benzyl-4-(hydroxymethyl)benzamide

• ChemBase ID: 300667
• Molecular Formular: C15H15NO2
• Molecular Mass: 241.2851
• Monoisotopic Mass: 241.11027873
• SMILES: c1ccc(cc1)CNC(=O)c1ccc(cc1)CO
• Canonical SMILES: OCc1ccc(cc1)C(=O)NCc1ccccc1
• InChI: InChI=1S/C15H15NO2/c17-11-13-6-8-14(9-7-13)15(18)16-10-12-4-2-1-3-5-12/h1-9,17H,10-11H2,(H,16,18)
• InChIKey: FSOQBXRAFAKMEO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-benzyl-4-(hydroxymethyl)benzamide
• IUPAC Traditional name: N-benzyl-4-(hydroxymethyl)benzamide
• Synonyms: N-Benzyl-4-methoxybenzamide

Database IDs

• MDL Number: MFCD00507374

CALCULATED PROPERTIES

• Acid pKa: 14.73906
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.0046854
• LogD (pH = 7.4): 2.0046854
• Log P: 2.0046856
• Molar Refractivity: 71.4616 cm^3
• Polarizability: 27.048563 Å^3
• Polar Surface Area: 49.33 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%