2-Chloro-N-(4-methylphenyl)propanamide

CAS: 147372-41-6

Ref. 3D-FC113998

Product Information

• Name: 2-Chloro-N-(4-methylphenyl)propanamide
• Brand: Biosynth
• Description: 2-Chloro-N-(4-methylphenyl)propanamide (2CMP) is a molecule that belongs to the functional theory class. It is a theoretical compound with an empirical formula of C6H8ClNO and molecular weight of 172.2 g/mol. The vibrational frequencies of 2CMP have been experimentally determined by IR spectroscopy, which show that it has an experimental solubility data at -10 °C in hexane, with a solubility constant of 1.1 × 10−5 mol/L at 25 °C. The operational temperature range for 2CMP is between -20 °C and 60 °C, with a radiation parameter of 0.3 eV. The parameters are calculated using quantum theory which includes: vibrational frequency, infrared spectroscopy, solubility data, constant, and radiation parameter.

Chemical properties

• Molecular weight: 197.66 g/mol
• Formula: C₁₀H₁₂ClNO
• Purity: Min. 95%
• InChI: InChI=1S/C10H12ClNO/c1-7-3-5-9(6-4-7)12-10(13)8(2)11/h3-6,8H,1-2H3,(H,12,13)
• InChI key: InChIKey=FTKDWGYLOVAMPG-UHFFFAOYSA-N
• SMILES: Cc1ccc(NC(=O)C(C)Cl)cc1