Hexazinone Standard - 1000ug/ml in Purge and Trap Methanol , CAS No.51235-04-2

CAS: 51235-04-2 Cat. No.: H128264 Summenformel: C₁₂H₂₀N₄O₂ Molekulargewicht: 252.31 Beilstein Registry Number: 618801 EG-Nummer: 257-074-4

GRADE & PURITY 1000ug/ml in Purge and Trap Methanol

Synonyms

AKOS015914992 | FT-0630643 | Hexazinone [ANSI:BSI:ISO] | SCHEMBL66377 | DTXCID804145 | Tox21_300745 | Hexazinon | BRN 0618801 | 3-cyclohexyl-6-(dimethylamino)-1-methyl-1,3,5-triazine-2,4-dione | Hexazinone 100 microg/mL in Acetonitrile | Tox21_201665 | BS

Storage

Room temperature

Shipped In

Normal

Übersicht

Pesticides Single Component Standards

Specifications

Synonyme

AKOS015914992 | FT-0630643 | Hexazinone [ANSI:BSI:ISO] | SCHEMBL66377 | DTXCID804145 | Tox21_300745 | Hexazinon | BRN 0618801 | 3-cyclohexyl-6-(dimethylamino)-1-methyl-1,3,5-triazine-2,4-dione | Hexazinone 100 microg/mL in Acetonitrile | Tox21_201665 | BS

Spezifikationen & Reinheit

1000ug/ml in Purge and Trap Methanol

Storage

Room temperature

Verschickt in

Normal

Namen und Kennungen

Pubchem Sid

528773242

Kanonisches Lächeln

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

Isomere SMILES

CN1C(=NC(=O)N(C1=O)C2CCCCC2)N(C)C

WGK Deutschland

3

RTECS

XY7850000

Molekulargewicht

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
    • Klasse Organonitrogen compounds
      • Subclass Amines
        • Ebene5 Tertiary amines
          • Ebene6 Tertiary alkylarylamines
            • Ebene7 Dialkylarylamines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Klasse: 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
• Beschreibung: 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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Schmelzpunkt (°C): 115-117°C
• Molekulargewicht: 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