2-chloro-N-(2-ethyl-6-methylphenyl)-N-[1-methoxy(2H6)propan-2-yl]acetamide

• ChemBase ID: 174580
• Molecular Formular: C15H22ClNO2
• Molecular Mass: 283.79368
• Monoisotopic Mass: 283.13390663
• SMILES: c1ccc(c(c1C)N(C(=O)CCl)C(COC)C)CC
• Canonical SMILES: COCC(N(c1c(C)cccc1CC)C(=O)CCl)C
• InChI: InChI=1S/C15H22ClNO2/c1-5-13-8-6-7-11(2)15(13)17(14(18)9-16)12(3)10-19-4/h6-8,12H,5,9-10H2,1-4H3
• InChIKey: WVQBLGZPHOPPFO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-N-(2-ethyl-6-methylphenyl)-N-[1-methoxy(^2H₆)propan-2-yl]acetamide
• IUPAC Traditional name: 2-chloro-N-(2-ethyl-6-methylphenyl)-N-[1-methoxy(^2H₆)propan-2-yl]acetamide
• Synonyms: 2-Chloro-N-(2-ethyl-6-methylphenyl)-N-(2-methoxy-1-methylethyl-d6)acetamide; N-(1-Methyl-2-methoxyethyl-d6)-N-chloroacetyl-2-ethyl-6-methylaniline; CGA 24705-d6; Codal-d6; Dual-d6; Dual 720EC-d6; Dual 960 EC-d6; Dual II-d6; Dual Magnum-d6; Dual Triple-d6; Jindual-d6; Metetilachlor-d6; Metoken-d6; Pennant-d6; Yibingjiacaoan-d6; Metolachlor-d6

Database IDs

• PubChem SID: 164230490
• PubChem CID: 71750717

CALCULATED PROPERTIES

• Acid pKa: 16.750046
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.453377
• LogD (pH = 7.4): 3.453377
• Log P: 3.453377
• Molar Refractivity: 78.9358 cm^3
• Polarizability: 30.459192 Å^3
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Methanol
• Apperance: Pale Yellow Oil

Safety Information

• Storage Condition: -20°C Freezer

DETAILS

Toronto Research Chemicals - M338702

Labelled Metolachlor (M338700). A selective pre-emergence herbicide.

REFERENCES

• McGahen, L.L., et al.: J. Agric. Food Chem., 26, 414 (1978)
• Chesters, G., et al.: Rev. Environ. Contam. Toxicol.,110, 1 (1978)