Siduron - analytical standard , CAS No.1982-49-6

CAS: 1982-49-6 Cat. No.: S114623 分子式: C₁₄H₂0N₂O 分子量: 232.32 Beilstein Registry Number: 2725940 EC番号: 217-844-2 PubChem CID: 16116

GRADE & PURITY Analytical standard

Synonyms

DTXSID7032474 | Q27155591 | N-(2-Methylcyclohexyl)-N'-phenylurea | NSC 131951 | Urea, 1-(2-methylcyclohexyl)-3-phenyl- | AKOS001192124 | JXVIIQLNUPXOII-UHFFFAOYSA-N | Siduron, PESTANAL(R), analytical standard | N-Phenyl-N'-(2-methylcyclohexyl)urea | UNII-

Storage

Room temperature

Shipped In

Normal

Specifications

同義語

DTXSID7032474 | Q27155591 | N-(2-Methylcyclohexyl)-N'-phenylurea | NSC 131951 | Urea, 1-(2-methylcyclohexyl)-3-phenyl- | AKOS001192124 | JXVIIQLNUPXOII-UHFFFAOYSA-N | Siduron, PESTANAL(R), analytical standard | N-Phenyl-N'-(2-methylcyclohexyl)urea | UNII-

仕様と純度

analytical standard

保管条件

Room temperature

入荷

Normal

等級

分析用標準物質

名前と識別子

• パブケム・シド: 528773292
• カノニカル・スマイル: CC1CCCCC1NC(=O)NC2=CC=CC=C2
• IUPAC Name: 1-(2-methylcyclohexyl)-3-phenylurea
• InChIKey: JXVIIQLNUPXOII-UHFFFAOYSA-N
• INCHI: 1S/C14H20N2O/c1-11-7-5-6-10-13(11)16-14(17)15-12-8-3-2-4-9-12/h2-4,8-9,11,13H,5-7,10H2,1H3,(H2,15,16,17)
• 異性体SMILES: CC1CCCCC1NC(=O)NC2=CC=CC=C2
• WGKドイツ: 2
• RTECS: YT7350000
• PubChem CID: 16116
• 分子量: 232.32
• Beilstein: 2725940

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 分類 Benzene and substituted derivatives
      • Subclass N-phenylureas

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Benzene and substituted derivatives
• Subclass: N-phenylureas
• Intermediate Tree Nodes: Not available
• Direct Parent: N-phenylureas
• Alternative Parents: Ureas Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: N-phenylurea - Urea - Carbonic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aromatic homomonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as n-phenylureas. These are compounds containing a N-phenylurea moiety, which is structurally characterized by a phenyl group linked to one nitrogen atom of a urea group.
• External Descriptors: Phenylurea 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

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RXRA Tclin Retinoid X receptor alpha (3637 Activities)

Discover Target: RXRA

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関連ターゲット（非人間）

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Discover Target: Nfe2l2

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作用メカニズム

化学的性質と物理的性質

• 融点（°C）: 133-138°C
• 分子量: 232.320 g/mol
• XLogP3: 3.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 232.158 Da
• Monoisotopic Mass: 232.158 Da
• Topological Polar Surface Area: 41.100 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 249.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 2
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1