Clenpenterol hydrochloride - ≥98% , CAS No.37158-47-7

CAS: 37158-47-7 Cat. No.: C140639 Formule: C₁₃H₂₀Cl₂N₂O · HCl Poids moléculaire: 327.68 Numéro CE: 635-761-3

GRADE & PURITY ≥98%

Synonyms

1-(4-Amino-3,5-dichlorophenyl)-2-(1,1-dimethylpropylamino)ethanol hydrochloride

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Vue d’ensemble

Clenpenterol hydrochloride used as an analytical reference standard for the determination of the analyte in Human and bovine urine samples by isotope dilution liquid chromatography–tandem mass spectrometry (LC-MS/MS). Clenpenterol hydrochloride may be used as a reference standard in the determination of clenpenterol hydrochloride in hair samples using liquid chromatography coupled with tandem mass spectrometry (LC-MS/MS).

Specifications

Synonymes

1-(4-Amino-3,5-dichlorophenyl)-2-(1,1-dimethylpropylamino)ethanol hydrochloride

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Store at 2-8°C,Argon charged

Expédié en

Wet ice

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

Pureté

≥98%

Noms et identifiants

• Sourires canoniques: CCC(C)(C)NCC(C1=CC(=C(C(=C1)Cl)N)Cl)O.Cl
• IUPAC Name: 1-(4-amino-3,5-dichlorophenyl)-2-(2-methylbutan-2-ylamino)ethanol;hydrochloride
• InChIKey: HJGDYFOIRCZBLH-UHFFFAOYSA-N
• INCHI: 1S/C13H20Cl2N2O.ClH/c1-4-13(2,3)17-7-11(18)8-5-9(14)12(16)10(15)6-8;/h5-6,11,17-18H,4,7,16H2,1-3H3;1H
• Isomères SMILES: CCC(C)(C)NCC(C1=CC(=C(C(=C1)Cl)N)Cl)O.Cl
• WGK Allemagne: 3
• Poids moléculaire: 327.68
• Reaxy-Rn: 30545788
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=30545788&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Halobenzenes
        • Level5 Chlorobenzenes
          • Level6 Dichlorobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Chlorobenzenes
• Direct Parent: Dichlorobenzenes
• Alternative Parents: Aniline and substituted anilines Aralkylamines Aryl chlorides Secondary alcohols 1,2-aminoalcohols Dialkylamines Primary amines Organochlorides Hydrochlorides Hydrocarbon derivatives Aromatic alcohols
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 1,3-dichlorobenzene - Aniline or substituted anilines - Aralkylamine - Aryl chloride - Aryl halide - 1,2-aminoalcohol - Secondary alcohol - Secondary aliphatic amine - Secondary amine - Hydrocarbon derivative - Primary amine - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic nitrogen compound - Aromatic alcohol - Alcohol - Organic oxygen compound - Amine - Hydrochloride - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as dichlorobenzenes. These are compounds containing a benzene with exactly two chlorine atoms attached to it.
• 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

Propriétés chimiques et physiques

• Poids moléculaire: 327.700 g/mol
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 326.072 Da
• Monoisotopic Mass: 326.072 Da
• Topological Polar Surface Area: 58.300 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 251.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• 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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