Pretilachlor - ≥95% , CAS No.51218-49-6

CAS: 51218-49-6 Cat. No.: P140390 Fórmula: C₁₇H₂₆ClNO₂ Peso molecular: 311.85 Beilstein Registry Number: 2754162 Número CE: 610-630-3

GRAU & PUREZA ≥95%

Synonyms

Acetamide, 2-chloro-N-(2,6-diethylphenyl)-N-(2-propoxyethyl)-|Pretilachlor [ISO]|PRETILACHLOR [MI]|2-Chloro-N-(2,6-diethylphenyl)-N-(2-propoxyethyl)acetamide #|Xanthosine hydrate|2-(Trifluoromethyl)-DL-lactic acid|CG 113|Pretilachlor|2-Chloro-N-(2,6-diethylphenyl)-N-(2-propoxyethyl)acetamide|Solnet|2-chloro-2',6'-diethyl-N-(2-n-propoxyethyl)-acetanilide|CGA 26423|Rifit|2-Chloro-2',6'-diethyl-N-(2-propoxyethyl)acetanilide|Pretilachlor [BSI:ISO]|Pretilachlore [ISO-French]|5-nitro-3-(trifluoromethyl)-2(1H)-Pyridinone|CGA-26423|2-chloro-2',6'-diethyl-N-(2-propyloxyethyl)acetanilide|CG-113|retilachlor

Storage

Room temperature

Shipped In

Normal

Especificações

Sinónimos

Acetamide, 2-chloro-N-(2,6-diethylphenyl)-N-(2-propoxyethyl)- | Pretilachlor [ISO] | PRETILACHLOR [MI] | 2-Chloro-N-(2,6-diethylphenyl)-N-(2-propoxyethyl)acetamide # | Xanthosine hydrate | 2-(Trifluoromethyl)-DL-lactic acid | CG 113 | Pretilachlor | 2-Chloro-N-(2,6-diethylphenyl)-N-(2-propoxyethyl)acetamide | Solnet | 2-chloro-2',6'-dieth Show more

Especificações e pureza

≥95%

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥95%

Nomes e identificadores

Sorrisos canónicos

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

IUPAC Name

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

InChIKey

YLPGTOIOYRQOHV-UHFFFAOYSA-N

INCHI

1S/C17H26ClNO2/c1-4-11-21-12-10-19(16(20)13-18)17-14(5-2)8-7-9-15(17)6-3/h7-9H,4-6,10-13H2,1-3H3

SMILES isoméricas

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

WGK Alemanha

2

RTECS

AB5427000

Número UN

3082

Peso molecular

311.85

Beilstein

2754162

Reaxy-Rn

2754162

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2754162&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 Dialkyl ethers Organopnictogen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl chlorides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Anilide - 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: 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)

NR1I2 Tchem Pregnane X receptor (6667 Activities)

Discover Target: NR1I2

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

POLK Tbio DNA polymerase kappa (8653 Activities)

Discover Target: POLK

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

Mecanismos de ação

Propriedades químicas e físicas

• Sensibilidade: Light sensitive.
• Peso molecular: 311.800 g/mol
• XLogP3: 4.100
• 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