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

CAS: 2163-69-1 Cat. No.: C114626 Formule: C₁₁H₂₂N₂O Poids moléculaire: 198.31 Beilstein Registry Number: 2209526 Numéro 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

Synonymes

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,

Spécifications et pureté

analytical standard

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Grade

Étalon d'analyse

Noms et identifiants

• Sourires canoniques: 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)
• Isomères SMILES: CN(C)C(=O)NC1CCCCCCC1
• WGK Allemagne: 3
• RTECS: YS7875000
• Poids moléculaire: 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
• Description: 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

Mécanismes d'action

Propriétés chimiques et physiques

• Point d'éclair (°F): >100 °C
• Point d'éclair (°C): >100°C
• Poids moléculaire: 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