ST 91 - ≥99%(HPLC) , CAS No.4749-61-5

CAS: 4749-61-5 Cat. No.: S287800 Fórmula: C₁₃H₁₉N₃.HCl Peso molecular: 253.77 PubChem CID: 185944

GRADE & PURITY ≥99%(HPLC)

Synonyms

ST 91 | AKOS024457212 | Benzenamine, 2,6-diethyl-N-2-imidazolidinylidene-, monohydrochloride | E98702 | N-(2,6-Diethylphenyl)-4,5-dihydro-1H-imidazol-2-amine--hydrogen chloride (1/1) | MS-23574 | DTXSID50963858 | HY-103203 | N-(2,6-diethylphenyl)-4,5-dihy

Storage

Armazenar a -20°C,Dessecado

Shipped In

Arca de gelo + almofadas de gelo

Visão geral

descrição do produto：

agonista do recetor α2-adrenérgico

Specifications

Sinónimos

ST 91 | AKOS024457212 | Benzenamine, 2,6-diethyl-N-2-imidazolidinylidene-, monohydrochloride | E98702 | N-(2,6-Diethylphenyl)-4,5-dihydro-1H-imidazol-2-amine--hydrogen chloride (1/1) | MS-23574 | DTXSID50963858 | HY-103203 | N-(2,6-diethylphenyl)-4,5-dihy

Especificações e pureza

≥99%(HPLC)

Mecanismos bioquímicos e fisiológicos

α2-adrenoceptor agonist that does not cross the blood brain barrier. Displays ~ 120-fold selectivity forα2receptors overα1receptors and acts predominantly at non-α2A-adrenoceptors which may be of theα2Csubtype. Antinociceptive; increases tail-flick latenc

Condições de armazenamento de armazenamento

Armazenar a -20°C,Dessecado

Enviado em

Arca de gelo + almofadas de gelo

Pureza

≥99%(HPLC)

Nomes e identificadores

• Pubchem Sid: 528767209
• Sorrisos canónicos: CCC1=C(C(=CC=C1)CC)NC2=NCCN2.Cl
• IUPAC Name: N-(2,6-diethylphenyl)-4,5-dihydro-1H-imidazol-2-amine;hydrochloride
• InChIKey: ZLRWFGBEDNTMEU-UHFFFAOYSA-N
• INCHI: 1S/C13H19N3.ClH/c1-3-10-6-5-7-11(4-2)12(10)16-13-14-8-9-15-13;/h5-7H,3-4,8-9H2,1-2H3,(H2,14,15,16);1H
• SMILES isoméricas: CCC1=C(C(=CC=C1)CC)NC2=NCCN2.Cl
• PubChem CID: 185944
• Peso molecular: 253.77

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Aniline and substituted anilines

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Aniline and substituted anilines
• Intermediate Tree Nodes: Not available
• Direct Parent: Aniline and substituted anilines
• Alternative Parents: Imidazolines Guanidines Propargyl-type 1,3-dipolar organic compounds Carboximidamides Azacyclic compounds Organopnictogen compounds Organic chloride salts Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Aniline or substituted anilines - 2-imidazoline - Guanidine - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organic chloride salt - Organic salt - Organonitrogen compound - Aromatic heteromonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as aniline and substituted anilines. These are organic compounds containing an aminobenzene moiety.
• 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

Propriedades químicas e físicas

• Solubilidade: Solvent:water, Max Conc. mg/mL: 25.38, Max Conc. mM: 100; Solvent:DMSO, Max Conc. mg/mL: 25.38, Max Conc. mM: 100
• Peso molecular: 253.770 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 253.135 Da
• Monoisotopic Mass: 253.135 Da
• Topological Polar Surface Area: 36.400 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 238.000
• 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: 2

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