4-(chloromethyl)-N-cyclohexyl-N-methylbenzamide

• ChemBase ID: 301693
• Molecular Formular: C15H20ClNO
• Molecular Mass: 265.7784
• Monoisotopic Mass: 265.12334195
• SMILES: ClCc1ccc(C(=O)N(C)C2CCCCC2)cc1
• Canonical SMILES: ClCc1ccc(cc1)C(=O)N(C1CCCCC1)C
• InChI: InChI=1S/C15H20ClNO/c1-17(14-5-3-2-4-6-14)15(18)13-9-7-12(11-16)8-10-13/h7-10,14H,2-6,11H2,1H3
• InChIKey: BKOFAXWRUIZZTF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(chloromethyl)-N-cyclohexyl-N-methylbenzamide
• IUPAC Traditional name: 4-(chloromethyl)-N-cyclohexyl-N-methylbenzamide
• Synonyms: 4-Chloromethyl-N-cyclohexyl-N-methylbenzamide

Database IDs

• MDL Number: MFCD11544452

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.6577506
• LogD (pH = 7.4): 3.6577508
• Log P: 3.6577508
• Molar Refractivity: 75.8109 cm^3
• Polarizability: 28.973618 Å^3
• Polar Surface Area: 20.31 Å^2
• Rotatable Bonds: 3
• 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%