Pymetrozin - analytical standard , CAS No.123312-89-0

CAS: 123312-89-0 Cat. No.: P114483 分子式: C₁₀H₁₁N₅O 分子量: 217.23 Beilstein Registry Number: 7814151 EC番号: 602-927-1

GRADE & PURITY Analytical standard

Synonyms

Pymetrozin | Pymetrozine [ISO:BSI] | CGA 215944 | Fulfill | PYMETROZINE [MI] | Tox21_300879 | UNII-F0G3V7874J | 1,2,4-Triazin-3(2H)-one, 4,5-dihydro-6-methyl-4-[(E)-(3-pyridinylmethylene)amino]- | A805042 | DTXCID0012637 | HY-B0821 | C18590 | 6-methyl-4-

Storage

Room temperature

Shipped In

Normal

Specifications

同義語

Pymetrozin | Pymetrozine [ISO:BSI] | CGA 215944 | Fulfill | PYMETROZINE [MI] | Tox21_300879 | UNII-F0G3V7874J | 1,2,4-Triazin-3(2H)-one, 4,5-dihydro-6-methyl-4-[(E)-(3-pyridinylmethylene)amino]- | A805042 | DTXCID0012637 | HY-B0821 | C18590 | 6-methyl-4-

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

528770796

カノニカル・スマイル

CC1=NNC(=O)N(C1)N=CC2=CN=CC=C2

IUPAC Name

6-methyl-4-[(E)-pyridin-3-ylmethylideneamino]-2,5-dihydro-1,2,4-triazin-3-one

InChIKey

QHMTXANCGGJZRX-WUXMJOGZSA-N

INCHI

1S/C10H11N5O/c1-8-7-15(10(16)14-13-8)12-6-9-3-2-4-11-5-9/h2-6H,7H2,1H3,(H,14,16)/b12-6+

異性体SMILES

CC1=NNC(=O)N(C1)/N=C/C2=CN=CC=C2

WGKドイツ

2

RTECS

XZ3018620

分子量

217.23

Beilstein

7814151

Reaxy-Rn

8392466

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8392466&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 分類 Triazines
      • Subclass 1,2,4-triazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: Triazines
• Subclass: 1,2,4-triazines
• Intermediate Tree Nodes: Not available
• Direct Parent: 1,2,4-triazines
• Alternative Parents: Pyridines and derivatives Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 1,2,4-triazine - Pyridine - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteromonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as 1,2,4-triazines. These are compounds containing a triazine ring, which is a heterocyclic ring, similar to the six-member benzene ring but with three carbons replaced by nitrogen atoms, at ring positions 1, 2, and 4.
• External Descriptors: Pesticides

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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作用メカニズム

化学的性質と物理的性質

• 引火点（°F）: >230 °C
• 引火点（°C）: >230°C
• 分子量: 217.230 g/mol
• XLogP3: 0.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 217.096 Da
• Monoisotopic Mass: 217.096 Da
• Topological Polar Surface Area: 70.000 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 325.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1