N-cyclohexyl-4-(hydroxymethyl)benzamide

• ChemBase ID: 300577
• Molecular Formular: C14H19NO2
• Molecular Mass: 233.30616
• Monoisotopic Mass: 233.14157885
• SMILES: c1cc(ccc1CO)C(=O)NC1CCCCC1
• Canonical SMILES: OCc1ccc(cc1)C(=O)NC1CCCCC1
• InChI: InChI=1S/C14H19NO2/c16-10-11-6-8-12(9-7-11)14(17)15-13-4-2-1-3-5-13/h6-9,13,16H,1-5,10H2,(H,15,17)
• InChIKey: HTOLRQZMPOJHJB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclohexyl-4-(hydroxymethyl)benzamide
• IUPAC Traditional name: N-cyclohexyl-4-(hydroxymethyl)benzamide
• Synonyms: N-Cyclohexyl-4-methoxybenzamide

Database IDs

• CAS Number: 33739-91-2
• MDL Number: MFCD00554098

CALCULATED PROPERTIES

• Polarizability: 25.932554 Å^3
• Polar Surface Area: 49.33 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true
• Acid pKa: 14.644122
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.0794828
• LogD (pH = 7.4): 2.079483
• Log P: 2.079483
• Molar Refractivity: 67.8632 cm^3

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%