Propisochlor - analytical standard, ≥94% , CAS No.86763-47-5

CAS: 86763-47-5 Cat. No.: P114921 分子式: C₁₅H₂₂ClNO₂ 分子量: 283.79 EC番号: 617-914-6

GRADE & PURITY Analytical standard, ≥94%

Synonyms

DTXSID2058205 | Propisochlor, PESTANAL(R), analytical standard | 2-chloro-N-(2-ethyl-6-methylphenyl)-N-(propan-2-yloxymethyl)acetamide | Acetamide, 2-chloro-N-(2-ethyl-6-methylphenyl)-N-((1-methylethoxy)methyl)- | AS-81806 | 1ST22401 | PROPIZOCHLOR | Prop

Storage

Room temperature

Shipped In

Normal

Specifications

同義語

DTXSID2058205 | Propisochlor, PESTANAL(R), analytical standard | 2-chloro-N-(2-ethyl-6-methylphenyl)-N-(propan-2-yloxymethyl)acetamide | Acetamide, 2-chloro-N-(2-ethyl-6-methylphenyl)-N-((1-methylethoxy)methyl)- | AS-81806 | 1ST22401 | PROPIZOCHLOR | Prop

仕様と純度

analytical standard, ≥94%

保管条件

Room temperature

入荷

Normal

等級

分析用標準物質

純度

≥94%

名前と識別子

• パブケム・シド: 528771712
• カノニカル・スマイル: CCC1=CC=CC(=C1N(COC(C)C)C(=O)CCl)C
• IUPAC Name: 2-chloro-N-(2-ethyl-6-methylphenyl)-N-(propan-2-yloxymethyl)acetamide
• InChIKey: KZNDFYDURHAESM-UHFFFAOYSA-N
• INCHI: 1S/C15H22ClNO2/c1-5-13-8-6-7-12(4)15(13)17(14(18)9-16)10-19-11(2)3/h6-8,11H,5,9-10H2,1-4H3
• 異性体SMILES: CCC1=CC=CC(=C1N(COC(C)C)C(=O)CCl)C
• WGKドイツ: 3
• 分子量: 283.79
• Reaxy-Rn: 9130804
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9130804&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 分類 Benzene and substituted derivatives
      • Subclass Anilides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Benzene and substituted derivatives
• Subclass: Anilides
• Intermediate Tree Nodes: Not available
• Direct Parent: Anilides
• Alternative Parents: Toluenes Tertiary carboxylic acid amides Chloroacetamides Organopnictogen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl chlorides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Anilide - Toluene - Tertiary carboxylic acid amide - Chloroacetamide - Carboxamide group - Carboxylic acid derivative - Alkyl chloride - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Alkyl halide - Aromatic homomonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as anilides. These are organic heterocyclic compounds derived from oxoacids RkE(=O)l(OH)m (l not 0) by replacing an OH group by the NHPh group or derivative formed by ring substitution.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

化学的性質と物理的性質

• 分子量: 283.790 g/mol
• XLogP3: 3.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 283.134 Da
• Monoisotopic Mass: 283.134 Da
• Topological Polar Surface Area: 29.500 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 283.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

参考文献

1. Bu Ziyun, Si Qiankang, Lu Xiaolin, Wang Pei, Wu Dezhen, Mei Yingying.  (2025)  Monolithic capillary electrochromatographic system based on gold nanoparticles and chitosan chiral molecularly imprinted polymers for enantioseparation of metolachlor and separation of structural analogs.  MICROCHIMICA ACTA,  192  (5): (1-14).  [PMID:40205242] [10.1007/s00604-025-07142-9]