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

CAS: 2163-69-1 Cat. No.: C114626 분자식: C₁₁H₂₂N₂O 분자량: 198.31 Beilstein Registry Number: 2209526 EC 번호: 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

동의어

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,

사양 및 순도

analytical standard

보관 조건

Room temperature

배송

Normal

등급

분석 표준물질

이름과 식별자

정식 스마일

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)

이성체 SMILES

CN(C)C(=O)NC1CCCCCCC1

WGK 독일

3

RTECS

YS7875000

분자량

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
    • 분류 Organic carbonic acids and derivatives
      • Subclass Ureas

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• 분류: 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
• 설명: 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

작용 메커니즘

화학 및 물리적 특성

• 발화점(°F): >100 °C
• 발화점(°C): >100°C
• 분자량: 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