Pencycuron - analytical standard, ≥99.5% , CAS No.66063-05-6

CAS: 66063-05-6 Cat. No.: P110036 Fórmula: C₁₉H₂₁ClN₂O Peso molecular: 328.84 Beilstein Registry Number: 2154416 Número CE: 266-096-3

GRADE & PURITY Analytical standard, ≥99.5%

Synonyms

MLS000850708 | FT-0630759 | N-4-chlorobenzyl-N-cyclopentyl-N'-phenylurea | NCGC00255755-01 | Tox21_301255 | 6-chloro-1,2-benzoxazol-3-ol | NTN 19701

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

MLS000850708 | FT-0630759 | N-4-chlorobenzyl-N-cyclopentyl-N'-phenylurea | NCGC00255755-01 | Tox21_301255 | 6-chloro-1,2-benzoxazol-3-ol | NTN 19701

Especificações e pureza

analytical standard, ≥99.5%

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Grau

Analytical standard

Tipo de ação

INHIBITOR

Pureza

≥99.5%

Nomes e identificadores

• Pubchem Sid: 528771884
• Sorrisos canónicos: C1CCC(C1)N(CC2=CC=C(C=C2)Cl)C(=O)NC3=CC=CC=C3
• IUPAC Name: 1-[(4-chlorophenyl)methyl]-1-cyclopentyl-3-phenylurea
• InChIKey: OGYFATSSENRIKG-UHFFFAOYSA-N
• INCHI: 1S/C19H21ClN2O/c20-16-12-10-15(11-13-16)14-22(18-8-4-5-9-18)19(23)21-17-6-2-1-3-7-17/h1-3,6-7,10-13,18H,4-5,8-9,14H2,(H,21,23)
• SMILES isoméricas: C1CCC(C1)N(CC2=CC=C(C=C2)Cl)C(=O)NC3=CC=CC=C3
• WGK Alemanha: 2
• Peso molecular: 328.84
• Beilstein: 2154416
• Reaxy-Rn: 2154416
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2154416&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Halobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Chlorobenzenes
• Alternative Parents: Aryl chlorides Isoureas Propargyl-type 1,3-dipolar organic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Chlorobenzene - Aryl chloride - Aryl halide - Isourea - Carboximidic acid derivative - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organooxygen compound - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Aromatic homomonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as chlorobenzenes. These are compounds containing one or more chlorine atoms attached to a benzene moiety.
• External Descriptors: Pesticides

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

Mecanismos de ação

Propriedades químicas e físicas

• Peso molecular: 328.800 g/mol
• XLogP3: 4.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 328.134 Da
• Monoisotopic Mass: 328.134 Da
• Topological Polar Surface Area: 32.299 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 370.000
• 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