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

CAS: 87392-12-9 Cat. No.: S354463 Fórmula: C₁₅H₂₂ClNO₂ Peso molecular: 283.79 Número CE: 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

Visão geral

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

Sinónimos

(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)-

Especificações e pureza

≥98%

Condições de armazenamento de armazenamento

Store at 2-8°C

Enviado em

Wet ice

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥98%

Nomes e identificadores

• Sorrisos canónicos: 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
• SMILES isoméricas: CCC1=CC=CC(=C1N([C@@H](C)COC)C(=O)CCl)C
• WGK Alemanha: 2
• Número UN: 3082
• Grupo de embalagem: III
• Peso molecular: 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
    • Classe Benzene and substituted derivatives
      • Subclass Anilides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: 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
• Descrição: 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

Alvos associados (humanos)

CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)

Discover Target: CYP3A4

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Alvos associados (não humanos)

Brassica oleracea var. capitata (55 Activities)

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Phaseolus vulgaris (518 Activities)

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Trianthema (24 Activities)

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Boerhavia erecta (24 Activities)

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Portulaca oleracea (78 Activities)

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Amaranthus dubius (24 Activities)

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Digitaria (171 Activities)

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Corynandra viscosa (24 Activities)

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Cyperus (12 Activities)

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Poaceae (20 Activities)

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Eleusine indica (140 Activities)

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Clonostachys rosea (54 Activities)

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Mecanismos de ação

Propriedades químicas e físicas

• Ponto de fusão (°C): -61.1° C
• Peso molecular: 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