Imidacloprid-urea - ≥98% , CAS No.120868-66-8

CAS: 120868-66-8 Cat. No.: I413104 分子式: C₉H₁₀ClN₃O 分子量: 211.65

GRADE & PURITY ≥98%

Synonyms

1-[(6-chloro-3-pyridinyl) methyl]-2-imidazolidinone | imidacloprid-urea | Q27156939 | ADWTYURAFSWNSU-UHFFFAOYSA- | HY-131964 | starbld0014933 | 2-Imidazolidinone, 1-[(6-chloro-3-pyridinyl)methyl]- | 1-[(6-Chloro-3-pyridinyl)methyl]-2-imidazolidinone | 2-I

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

概要

Imidacloprid-urea with a role as a marine xenobiotic metabolite, is the primary imidacloprid soil metabolite, whereas imidacloprid-olefin is the main plant-relevant metabolite and is more toxic to insects than imidacloprid.

Specifications

同義語

1-[(6-chloro-3-pyridinyl) methyl]-2-imidazolidinone | imidacloprid-urea | Q27156939 | ADWTYURAFSWNSU-UHFFFAOYSA- | HY-131964 | starbld0014933 | 2-Imidazolidinone, 1-[(6-chloro-3-pyridinyl)methyl]- | 1-[(6-Chloro-3-pyridinyl)methyl]-2-imidazolidinone | 2-I

仕様と純度

≥98%

生化学的・生理学的メカニズム

Imidacloprid-urea with a role as a marine xenobiotic metabolite, is the primary imidacloprid soil metabolite, whereas imidacloprid-olefin is the main plant-relevant metabolite and is more toxic to insects than imidacloprid.

保管条件

Store at -20°C

入荷

Ice chest + Ice pads

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

純度

≥98%

名前と識別子

パブケム・シド

508812933

カノニカル・スマイル

C1CN(C(=O)N1)CC2=CN=C(C=C2)Cl

IUPAC Name

1-[(6-chloropyridin-3-yl)methyl]imidazolidin-2-one

InChIKey

ADWTYURAFSWNSU-UHFFFAOYSA-N

INCHI

1S/C9H10ClN3O/c10-8-2-1-7(5-12-8)6-13-4-3-11-9(13)14/h1-2,5H,3-4,6H2,(H,11,14)

異性体SMILES

C1CN(C(=O)N1)CC2=CN=C(C=C2)Cl

分子量

211.65

Reaxy-Rn

5431580

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5431580&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 分類 Pyridines and derivatives
      • Subclass Halopyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: Pyridines and derivatives
• Subclass: Halopyridines
• Intermediate Tree Nodes: Not available
• Direct Parent: 2-halopyridines
• Alternative Parents: Imidazolidinones Aryl chlorides Heteroaromatic compounds Ureas Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 2-halopyridine - Aryl chloride - Aryl halide - Imidazolidinone - Imidazolidine - Heteroaromatic compound - Carbonic acid derivative - Urea - Azacycle - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Carbonyl group - Organic oxygen compound - Aromatic heteromonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as 2-halopyridines. These are organic compounds containing a pyridine ring substituted at the 2-position by a halogen atom.
• External Descriptors: ureas - imidazolidinone - monochloropyridine

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

関連ターゲット（人間）

NR3C1 Tclin Glucocorticoid receptor (14987 Activities)

Discover Target: NR3C1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

VDR Tclin Vitamin D receptor (26531 Activities)

Discover Target: VDR

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

NR1H4 Tclin Bile acid receptor FXR (6228 Activities)

Discover Target: NR1H4

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CHRNB2 Tclin Neuronal acetylcholine receptor; alpha4/beta2 (3972 Activities)

Discover Target: CHRNB2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

作用メカニズム

化学的性質と物理的性質

• 分子量: 211.650 g/mol
• XLogP3: 0.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 211.051 Da
• Monoisotopic Mass: 211.051 Da
• Topological Polar Surface Area: 45.200 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 224.000
• 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