4-Hydroxy Xylazine - Moligand™, ≥97% , CAS No.145356-32-7

CAS: 145356-32-7 Cat. No.: H337464 分子式: C₁₂H₁₆N₂OS 分子量: 236.33 EC番号: 962-075-4 PubChem CID: 46781929

GRADE & PURITY Moligand™, ≥97%

Synonyms

N-(4-hydroxy-2,6-dimethylphenyl)-5,6-dihydro-4h-1,3-thiazin-2-amine | 4-(5,6-Dihydro-4H-1,3-thiazin-2-ylamino)-3,5-dimethylphenol | 4-(5,6-Dihydro-4h-1,3-thiazin-2-ylamino)-3,5-dimethyl-phenol | 4-Hydroxy Xylazine | L34LJ2G97U | J-008092 | FT-0670238 | Ph

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

概要

4-Hydroxy Xylazine is a major metabolite of the α|2|-adrenergic receptor agonist Xylazine, an aniline derivative used as a zoological sedative. 4-Hydroxy Xylazine is particularly important as a marker for identifying the initial presence of Xylazine in the systems of horses in doping control experiments.

Specifications

同義語

N-(4-hydroxy-2,6-dimethylphenyl)-5,6-dihydro-4h-1,3-thiazin-2-amine | 4-(5,6-Dihydro-4H-1,3-thiazin-2-ylamino)-3,5-dimethylphenol | 4-(5,6-Dihydro-4h-1,3-thiazin-2-ylamino)-3,5-dimethyl-phenol | 4-Hydroxy Xylazine | L34LJ2G97U | J-008092 | FT-0670238 | Ph

仕様と純度

Moligand™, ≥97%

保管条件

Store at -20°C

入荷

Ice chest + Ice pads

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

等級

Moligand™

純度

≥97%

名前と識別子

• パブケム・シド: 528760998
• カノニカル・スマイル: CC1=CC(=CC(=C1NC2=NCCCS2)C)O
• IUPAC Name: 4-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)-3,5-dimethylphenol
• InChIKey: FXWQWFCVDXMJNM-UHFFFAOYSA-N
• INCHI: 1S/C12H16N2OS/c1-8-6-10(15)7-9(2)11(8)14-12-13-4-3-5-16-12/h6-7,15H,3-5H2,1-2H3,(H,13,14)
• 異性体SMILES: CC1=CC(=CC(=C1NC2=NCCCS2)C)O
• PubChem CID: 46781929
• 分子量: 236.33

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 分類 Phenols
      • Subclass Cresols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Phenols
• Subclass: Cresols
• Intermediate Tree Nodes: Not available
• Direct Parent: Meta cresols
• Alternative Parents: p-Aminophenols m-Xylenes Aniline and substituted anilines 1-hydroxy-2-unsubstituted benzenoids 1,3-thiazines Isothioureas Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organooxygen compounds Hydrocarbon derivatives Amines
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: P-aminophenol - Aminophenol - M-xylene - Xylene - M-cresol - Aniline or substituted anilines - 1-hydroxy-2-unsubstituted benzenoid - Meta-thiazine - Monocyclic benzene moiety - Isothiourea - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Azacycle - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Amine - Aromatic heteromonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as meta cresols. These are aromatic compounds containing a meta-cresol moiety, which consists of a benzene ring bearing a methyl group and a hydroxyl group at ring positions 1 and 3, respectively.
• 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

化学的性質と物理的性質

• 溶解度: Soluble in DMSO and Methanol
• 融点（°C）: >234° C (dec.)
• 分子量: 236.340 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 236.098 Da
• Monoisotopic Mass: 236.098 Da
• Topological Polar Surface Area: 69.900 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 258.000
• 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