Amicarbazone - Moligand™, ≥98% , CAS No.129909-90-6

CAS: 129909-90-6 Cat. No.: A695998 Peso molecular: 241.30 Número EC: 603-373-3

GRADE & PURITY Moligand™, ≥98%

Synonyms

4-Amino-N-tert-butyl-3-isopropyl-5-oxo-4,5-dihydro-1H-1,2,4-triazole-1-carboxamide

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Descripción general

Amicarb is a photosystem II (PSII) inhibitory herbicide belonging to the triazolinone family of herbicides with broad-spectrum herbicidal activity.

Application：

Amicarbazone was used as a reference standard for the determination of amicarbazone and its metabolite residues in plants by a modified QuEChERS (rapid, easy, cheap, effective, robust, and safe) liquid chromatography-tandem mass spectrometry method.  

Specifications

Sinónimos

4-Amino-N-tert-butyl-3-isopropyl-5-oxo-4,5-dihydro-1H-1,2,4-triazole-1-carboxamide

Especificaciones y pureza

Moligand™, ≥98%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C,Protected from light,Argon charged

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Grado

Moligand™

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 528772540
• Sonrisas canónicas: CC(C)C1=NN(C(=O)N1N)C(=O)NC(C)(C)C
• IUPAC Name: 4-amino-N-tert-butyl-5-oxo-3-propan-2-yl-1,2,4-triazole-1-carboxamide
• InChIKey: ORFPWVRKFLOQHK-UHFFFAOYSA-N
• INCHI: 1S/C10H19N5O2/c1-6(2)7-13-15(9(17)14(7)11)8(16)12-10(3,4)5/h6H,11H2,1-5H3,(H,12,16)
• Isómeros SMILES: CC(C)C1=NN(C(=O)N1N)C(=O)NC(C)(C)C
• Peso molecular: 241.30

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Azoles
      • Subclass Triazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Azoles
• Subclass: Triazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Triazoles
• Alternative Parents: Triazolines Heteroaromatic compounds Organic carbonic acids and derivatives Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Triazoline - Heteroaromatic compound - 1,2,4-triazole - Carbonic acid derivative - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as triazoles. These are compounds containing a five-member aromatic ring of two carbon atoms and three nitrogen atoms.
• External Descriptors: Not available

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

Propiedades químicas y físicas

• Solubilidad: 4.61 g/L极微溶于水(20℃)
• Sensibilidad: Air sensitive；Light sensitive；Heat sensitive
• Punto de fusión (°C): 138℃
• Peso molecular: 241.290 g/mol
• XLogP3: 1.000
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 241.154 Da
• Monoisotopic Mass: 241.154 Da
• Topological Polar Surface Area: 91.000 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 369.000
• 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