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

CAS: 129909-90-6 Cat. No.: A695998 Molecular Weight: 241.30 EC Number: 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

Overview

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

Synonyms

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

Specifications & Purity

Moligand™, ≥98%

Storage

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

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Grade

Moligand™

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 528772540
• Canonical Smiles: 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)
• Isomeric SMILES: CC(C)C1=NN(C(=O)N1N)C(=O)NC(C)(C)C
• Molecular Weight: 241.30

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: 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
• Description: 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

Chemical and Physical Properties

• Solubility: 4.61 g/L极微溶于水(20℃)
• Sensitivity: Air sensitive；Light sensitive；Heat sensitive
• Melt Point(°C): 138℃
• Molecular Weight: 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