S-Metolachlor - ≥98% , CAS No.87392-12-9

CAS: 87392-12-9 Cat. No.: S354463 分子式: C₁₅H₂₂ClNO₂ 分子量: 283.79 EC番号: 618-004-1

GRADE & PURITY ≥98%

Synonyms

(S)-N-chloroacetyl-N-(1-methoxyprop-2-yl)-2-methyl-6-ethylphenylamine | UNII-1O4NMK7I6H | Dual II Magnum | Q27157051 | SCHEMBL118065 | S-Metolachlor [ISO] | alpha-Metolachlor | HMS2856F10 | AKOS015899745 | 1O4NMK7I6H | 2-Chloro-N-(2-ethyl-6-methylphenyl)-

Storage

Store at 2-8°C

Shipped In

Wet ice

概要

S-Metolachlor is a herbicide and an isomer of metolachlor, which can be used for selective grass weed control, and it can reduce the chemical load to the environment likewise give good efficiency.

Specifications

同義語

(S)-N-chloroacetyl-N-(1-methoxyprop-2-yl)-2-methyl-6-ethylphenylamine | UNII-1O4NMK7I6H | Dual II Magnum | Q27157051 | SCHEMBL118065 | S-Metolachlor [ISO] | alpha-Metolachlor | HMS2856F10 | AKOS015899745 | 1O4NMK7I6H | 2-Chloro-N-(2-ethyl-6-methylphenyl)-

仕様と純度

≥98%

保管条件

Store at 2-8°C

入荷

Wet ice

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

純度

≥98%

名前と識別子

• カノニカル・スマイル: CCC1=CC=CC(=C1N(C(C)COC)C(=O)CCl)C
• IUPAC Name: 2-chloro-N-(2-ethyl-6-methylphenyl)-N-[(2S)-1-methoxypropan-2-yl]acetamide
• InChIKey: WVQBLGZPHOPPFO-LBPRGKRZSA-N
• 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/t12-/m0/s1
• 異性体SMILES: CCC1=CC=CC(=C1N([C@@H](C)COC)C(=O)CCl)C
• WGKドイツ: 2
• UN番号: 3082
• 包装グループ: III
• 分子量: 283.79
• Reaxy-Rn: 2743537
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2743537&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 Dialkyl ethers Organopnictogen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl chlorides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Anilide - Toluene - Chloroacetamide - Tertiary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Dialkyl ether - Ether - Alkyl chloride - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic oxide - Organopnictogen 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: 2-chloro-N-(2-ethyl-6-methylphenyl)-N-(1-methoxypropan-2-yl)acetamide

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

関連ターゲット（人間）

CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)

Discover Target: CYP3A4

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作用メカニズム

化学的性質と物理的性質

• 融点（°C）: -61.1° C
• 分子量: 283.790 g/mol
• XLogP3: 3.100
• 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: 285.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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