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

CAS: 2163-69-1 Cat. No.: C114626 Formula: C₁₁H₂₂N₂O Peso molecolare: 198.31 Beilstein Registry Number: 2209526 Numero EC: 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

Sinonimi

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,

Specifiche e purezza

analytical standard

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Grado

Standard analitico

Nomi e identificatori

• Sorrisi canonici: 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)
• Isomeri SMILES: CN(C)C(=O)NC1CCCCCCC1
• WGK Germania: 3
• RTECS: YS7875000
• Peso molecolare: 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
• Descrizione: 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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Punto di infiammabilità (°F): >100 °C
• Punto di infiammabilità (°C): >100°C
• Peso molecolare: 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