Cycluron - analytical standard , CAS No.2163-69-1

CAS: 2163-69-1 Cat. No.: C114626 Fórmula: C₁₁H₂₂N₂O Peso molecular: 198.31 Beilstein Registry Number: 2209526 Número CE: 218-493-8

GRADE & PURITY Analytical standard

Synonyms

BRN 2209526 | C19109 | Caswell No. 271A | CHEBI:82231 | Cyclouron | DTXSID8041824 | O,N-CYCLOOCTYL-N',N'- DIMETHYLUREA | 1,1-Dimethyl-3-cyclooctylurea | Cycluron [BSI:ISO] | DQZCVNGCTZLGAQ-UHFFFAOYSA-N | V8K90CTK5Q | 3-Cyclooctyl-1,1-dimethylurea | Urea,

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

BRN 2209526 | C19109 | Caswell No. 271A | CHEBI:82231 | Cyclouron | DTXSID8041824 | O,N-CYCLOOCTYL-N',N'- DIMETHYLUREA | 1,1-Dimethyl-3-cyclooctylurea | Cycluron [BSI:ISO] | DQZCVNGCTZLGAQ-UHFFFAOYSA-N | V8K90CTK5Q | 3-Cyclooctyl-1,1-dimethylurea | Urea,

Especificações e pureza

analytical standard

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Grau

Padrão analítico

Nomes e identificadores

• Sorrisos canónicos: CN(C)C(=O)NC1CCCCCCC1
• IUPAC Name: 3-cyclooctyl-1,1-dimethylurea
• InChIKey: DQZCVNGCTZLGAQ-UHFFFAOYSA-N
• INCHI: 1S/C11H22N2O/c1-13(2)11(14)12-10-8-6-4-3-5-7-9-10/h10H,3-9H2,1-2H3,(H,12,14)
• SMILES isoméricas: CN(C)C(=O)NC1CCCCCCC1
• WGK Alemanha: 3
• RTECS: YS7875000
• Peso molecular: 198.31
• Beilstein: 2209526
• Reaxy-Rn: 2209526
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2209526&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe Organic carbonic acids and derivatives
      • Subclass Ureas

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Organic carbonic acids and derivatives
• Subclass: Ureas
• Intermediate Tree Nodes: Not available
• Direct Parent: Ureas
• Alternative Parents: Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Urea - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aliphatic homomonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as ureas. These are compounds containing two amine groups joined by a carbonyl (C=O) functional group.
• External Descriptors: Urea 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

Mecanismos de ação

Propriedades químicas e físicas

• Ponto de inflamação (°F): >100 °C
• Ponto de inflamação (°C): >100°C
• Peso molecular: 198.310 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 198.173 Da
• Monoisotopic Mass: 198.173 Da
• Topological Polar Surface Area: 32.299 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 172.000
• 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