Butachlor solution - analytical standard, 10ug/ml in acetone , CAS No.23184-66-9

CAS: 23184-66-9 Cat. No.: B114551 Fórmula: C₁₇H₂₆ClNO₂ Peso molecular: 311.85 Beilstein Registry Number: 2873811 Número CE: 245-477-8

GRAU & PUREZA Analytical standard, 10ug/ml in acetone

Synonyms

Butachlor, analytical standard | HY-B2042 | NCGC00254842-01 | N-n-butoxymethyl-N-(2,6-diethylphenyl)chloroacetamide | Amichlor | 94NU90OO5K | Butachlor [ANSI:BSI:ISO] | NSC221683 | NSC-221683 | BUTACHLOR | CAS-23184-66-9 | HKPHPIREJKHECO-UHFFFAOYSA- | NCG

Storage

Room temperature

Shipped In

Normal

Especificações

Sinónimos

Butachlor, analytical standard | HY-B2042 | NCGC00254842-01 | N-n-butoxymethyl-N-(2,6-diethylphenyl)chloroacetamide | Amichlor | 94NU90OO5K | Butachlor [ANSI:BSI:ISO] | NSC221683 | NSC-221683 | BUTACHLOR | CAS-23184-66-9 | HKPHPIREJKHECO-UHFFFAOYSA- | NCG

Especificações e pureza

analytical standard, 10ug/ml in acetone

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Grau

Analytical standard

Nomes e identificadores

Pubchem Sid

528768948

Sorrisos canónicos

CCCCOCN(C1=C(C=CC=C1CC)CC)C(=O)CCl

IUPAC Name

N-(butoxymethyl)-2-chloro-N-(2,6-diethylphenyl)acetamide

InChIKey

HKPHPIREJKHECO-UHFFFAOYSA-N

INCHI

1S/C17H26ClNO2/c1-4-7-11-21-13-19(16(20)12-18)17-14(5-2)9-8-10-15(17)6-3/h8-10H,4-7,11-13H2,1-3H3

SMILES isoméricas

CCCCOCN(C1=C(C=CC=C1CC)CC)C(=O)CCl

WGK Alemanha

3

RTECS

AE1200000

Peso molecular

311.85

Beilstein

2873811

Reaxy-Rn

2873811

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2873811&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: 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 - 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
• 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: Anilide herbicides

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)

ESR1 Tclin Estrogen receptor alpha (17718 Activities)

Discover Target: ESR1

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NR3C1 Tclin Glucocorticoid receptor (14987 Activities)

Discover Target: NR3C1

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AR Tclin Androgen Receptor (11781 Activities)

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VDR Tclin Vitamin D receptor (26531 Activities)

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PPARG Tclin Peroxisome proliferator-activated receptor gamma (15191 Activities)

Discover Target: PPARG

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RXRA Tclin Retinoid X receptor alpha (3637 Activities)

Discover Target: RXRA

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TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

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MEN1 Tchem Menin/Histone-lysine N-methyltransferase MLL (48157 Activities)

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Alvos associados (não humanos)

Ppard Peroxisome proliferator-activated receptor delta (358 Activities)

Discover Target: Ppard

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Echinochloa crus-galli (3685 Activities)

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Aspergillus niger (16508 Activities)

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Oryza sativa (2923 Activities)

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unidentified (12 Activities)

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Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)

Discover Target: Nfe2l2

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Pontederia vaginalis (622 Activities)

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Sagittaria pygmaea (155 Activities)

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Echinochloa oryzicola (1513 Activities)

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Schoenoplectiella juncoides (1014 Activities)

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Cyperus serotinus (164 Activities)

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Mecanismos de ação

Propriedades químicas e físicas

• Ponto de inflamação (°C): 100°C
• Peso molecular: 311.800 g/mol
• XLogP3: 4.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 9
• Exact Mass: 311.165 Da
• Monoisotopic Mass: 311.165 Da
• Topological Polar Surface Area: 29.500 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 287.000
• 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