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

CAS: 66063-05-6 Cat. No.: P110036 分子式: C₁₉H₂₁ClN₂O 分子量: 328.84 Beilstein Registry Number: 2154416 EC番号: 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

同義語

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

仕様と純度

analytical standard, ≥99.5%

保管条件

Room temperature

入荷

Normal

等級

分析用標準物質

アクションタイプ

INHIBITOR

純度

≥99.5%

名前と識別子

• パブケム・シド: 528771884
• カノニカル・スマイル: 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)
• 異性体SMILES: C1CCC(C1)N(CC2=CC=C(C=C2)Cl)C(=O)NC3=CC=CC=C3
• WGKドイツ: 2
• 分子量: 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
    • 分類 Benzene and substituted derivatives
      • Subclass Halobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: 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
• 説明: 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

作用メカニズム

化学的性質と物理的性質

• 分子量: 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