ST 91 - ≥99%(HPLC) , CAS No.4749-61-5

CAS: 4749-61-5 Cat. No.: S287800 Molecular Weight: 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

Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

Overview

product description：

α2-adrenoceptor agonist

Specifications

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

Specifications & Purity

≥99%(HPLC)

Biochemical and Physiological Mechanisms

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

Storage

Store at -20°C, Desiccated

Shipped In

Ice chest + Ice pads

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

Purity

≥99%(HPLC)

Names and Identifiers

• Canonical Smiles: 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
• Isomeric SMILES: CCC1=C(C(=CC=C1)CC)NC2=NCCN2.Cl
• PubChem CID: 185944
• Molecular Weight: 253.77

Taxonomic Classification

Taxonomy Tree

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

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

Chemical and Physical Properties

• Solubility: Solvent:water, Max Conc. mg/mL: 25.38, Max Conc. mM: 100; Solvent:DMSO, Max Conc. mg/mL: 25.38, Max Conc. mM: 100
• Molecular Weight: 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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