Hexazinone - analytical standard, ≥98% , CAS No.51235-04-2

CAS: 51235-04-2 Cat. No.: H109961 Formule: C₁₂H₂₀N₄O₂ Poids moléculaire: 252.31 Beilstein Registry Number: 618801 Numéro CE: 257-074-4

GRADE & PURITY Analytical standard, ≥98%

Synonyms

Velpar L | Velpar | 3-Cyclohexyl-6-(dimethylamino)-1-methyl-1,3,5-triazine-2,4(1H,3H)-dione | Velpar weed killer

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonymes

Velpar L | Velpar | 3-Cyclohexyl-6-(dimethylamino)-1-methyl-1,3,5-triazine-2,4(1H,3H)-dione | Velpar weed killer

Spécifications et pureté

analytical standard, ≥98%

Conditions de stockage de stockage

Store at -20°C

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Grade

Analytical standard

Pureté

≥98%

Noms et identifiants

• Pubchem Sid: 528773241
• Sourires canoniques: CN1C(=NC(=O)N(C1=O)C2CCCCC2)N(C)C
• IUPAC Name: 3-cyclohexyl-6-(dimethylamino)-1-methyl-1,3,5-triazine-2,4-dione
• InChIKey: CAWXEEYDBZRFPE-UHFFFAOYSA-N
• INCHI: 1S/C12H20N4O2/c1-14(2)10-13-11(17)16(12(18)15(10)3)9-7-5-4-6-8-9/h9H,4-8H2,1-3H3
• Isomères SMILES: CN1C(=NC(=O)N(C1=O)C2CCCCC2)N(C)C
• WGK Allemagne: 3
• RTECS: XY7850000
• Poids moléculaire: 252.31
• Beilstein: 618801
• Reaxy-Rn: 618801
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=618801&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Classe Organonitrogen compounds
      • Subclass Amines
        • Level5 Tertiary amines
          • Level6 Tertiary alkylarylamines
            • Level7 Dialkylarylamines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Classe: Organonitrogen compounds
• Subclass: Amines
• Intermediate Tree Nodes: Tertiary amines - Tertiary alkylarylamines
• Direct Parent: Dialkylarylamines
• Alternative Parents: Triazinones N-aliphatic s-triazines 1,3,5-triazines Heteroaromatic compounds Ureas Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Dialkylarylamine - Amino-1,3,5-triazine - Aminotriazine - Triazinone - N-aliphatic s-triazine - Triazine - 1,3,5-triazine - Heteroaromatic compound - Urea - Organoheterocyclic compound - Azacycle - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organopnictogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as dialkylarylamines. These are aliphatic aromatic amines in which the amino group is linked to two aliphatic chains and one aromatic group.
• External Descriptors: Triazinone herbicides

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

Mécanismes d'action

Propriétés chimiques et physiques

• Point de fusion (°C): 115-117°C
• Poids moléculaire: 252.310 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 252.159 Da
• Monoisotopic Mass: 252.159 Da
• Topological Polar Surface Area: 56.200 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 386.000
• 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

Références

1. Xin Liu, Shiyue Niu, Bin Yang, Jia Liu, Liqian Niu, Xian Wang, Daqian Song, Shuyun Bi.  (2025)  Fabrication of BSA-protected AgNPs modified MIL-53(Al) as SERS substrate for trace determination of diquat and dipterex.  TALANTA,      [PMID:40154046] [10.1016/j.talanta.2025.128002]