Acétamipride - norme analytique , CAS No.135410-20-7

CAS: 135410-20-7 Cat. No.: A109930 Formule: C₁₀H₁₁ClN₄ Poids moléculaire: 222.67 Numéro CE: 603-921-1

GRADE & PURITY Analytical standard

Synonyms

Ethanimidamide, N-[(6-chloro-3-pyridinyl)methyl]-N'-cyano-N-methyl-,(1E)- | (E)-N(sup 1)-((6-chloro-3-pyridyl)methyl)-N(sup 2)-cyano-N(sup 1)-methylacetamidine | Acetamiprid [ISO] | HY-W012874 | Mospilan 20SP | TD-2472-01 | WCXDHFDTOYPNIE-RIYZIHGNSA-N | 6

Storage

Room temperature

Shipped In

Normal

Specifications

Synonymes

Ethanimidamide, N-[(6-chloro-3-pyridinyl)methyl]-N'-cyano-N-methyl-,(1E)- | (E)-N(sup 1)-((6-chloro-3-pyridyl)methyl)-N(sup 2)-cyano-N(sup 1)-methylacetamidine | Acetamiprid [ISO] | HY-W012874 | Mospilan 20SP | TD-2472-01 | WCXDHFDTOYPNIE-RIYZIHGNSA-N | 6

Spécifications et pureté

norme analytique

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Grade

Étalon d'analyse

Noms et identifiants

Pubchem Sid

504757855

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504757855

Sourires canoniques

CC(=NC#N)N(C)CC1=CN=C(C=C1)Cl

IUPAC Name

N-[(6-chloropyridin-3-yl)methyl]-N'-cyano-N-methylethanimidamide

InChIKey

WCXDHFDTOYPNIE-UHFFFAOYSA-N

INCHI

1S/C10H11ClN4/c1-8(14-7-12)15(2)6-9-3-4-10(11)13-5-9/h3-5H,6H2,1-2H3

Isomères SMILES

CC(=NC#N)N(C)CC1=CN=C(C=C1)Cl

WGK Allemagne

3

RTECS

KJ4235200

Numéro ONU

2811

Poids moléculaire

222.67

Reaxy-Rn

8546705

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8546705&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Pyridines and derivatives
• Subclass: Halopyridines
• Intermediate Tree Nodes: Not available
• Direct Parent: 2-halopyridines
• Alternative Parents: Aryl chlorides Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Carboximidamides Carboxamidines Azacyclic compounds Organopnictogen compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 2-halopyridine - Aryl chloride - Aryl halide - Heteroaromatic compound - Amidine - Carboxylic acid amidine - Carboximidamide - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Azacycle - Organochloride - Organonitrogen compound - Organic nitrogen compound - Organopnictogen compound - Organohalogen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound
• Description: 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: carboxamidine - nitrile - 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

Propriétés chimiques et physiques

• Point de fusion (°C): 100-102°C
• Poids moléculaire: 222.670 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 222.067 Da
• Monoisotopic Mass: 222.067 Da
• Topological Polar Surface Area: 52.300 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 280.000
• 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

Foire aux questions

What does analytical standard mean?

analytical standard is a defined analytical purity tier suitable for quantitative analytical methods. It specifies a minimum assay percentage, controlled limits on common impurities (water, heavy metals, residue on ignition), and lot-to-lot consistency. analytical standard is one of several purity tiers — choose based on the sensitivity and regulatory requirements of your method.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 135410-20-7, the molecular formula is C10H11ClN4, and the molecular weight is 222.67 g/mol. InChIKey WCXDHFDTOYPNIE-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.