Adrenalone HCl Hydrate - ≥98% , CAS No.62-13-5

CAS: 62-13-5 Cat. No.: A129906 Molecular Weight: 217.65(as Anhydrous) Beilstein Registry Number: 3916102 EC Number: 200-525-7

GRADE & PURITY ≥98%

Synonyms

A1234 | 1-(3,4-dihydroxyphenyl)-2-(methylamino)-ethanonhydrochloride | AKOS007930211 | alpha-Methylamino-3',4'-dihydroxyacetophenone hydrochloride | Q27284967 | s3185 | ADRENALONE HYDROCHLORIDE [MART.] | Adrenalonehydrochloride | Epinephrine ketone hydroc

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Overview

Adrenalone is an adrenergic agonist used as a topical vasoconstrictor and hemostatic, mainly acts on alpha-1 adrenergic receptors

Specifications

Synonyms

A1234 | 1-(3, 4-dihydroxyphenyl)-2-(methylamino)-ethanonhydrochloride | AKOS007930211 | alpha-Methylamino-3', 4'-dihydroxyacetophenone hydrochloride | Q27284967 | s3185 | ADRENALONE HYDROCHLORIDE [MART.] | Adrenalonehydrochloride | Epinephrine ketone hydroc

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

Selective α 1 -adrenoceptor agonist. Inhibits dopamine β oxidase and noradrenaline production.

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

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

Note

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Purity

≥98%

Names and Identifiers

• Canonical Smiles: CNCC(=O)C1=CC(=C(C=C1)O)O.Cl
• IUPAC Name: 1-(3,4-dihydroxyphenyl)-2-(methylamino)ethanone;hydrochloride
• InChIKey: CSRRBDMYOUQTCO-UHFFFAOYSA-N
• INCHI: 1S/C9H11NO3.ClH/c1-10-5-9(13)6-2-3-7(11)8(12)4-6;/h2-4,10-12H,5H2,1H3;1H
• Isomeric SMILES: CNCC(=O)C1=CC(=C(C=C1)O)O.Cl
• WGK Germany: 3
• RTECS: AM8225000
• Molecular Weight: 217.65(as Anhydrous)
• Beilstein: 3916102
• Reaxy-Rn: 3706932
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3706932&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Class Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Ketones
          • Level6 Aryl ketones
            • Level7 Phenylketones
              • Level8 Alkyl-phenylketones

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Ketones - Aryl ketones - Phenylketones
• Direct Parent: Alkyl-phenylketones
• Alternative Parents: Catechols Benzoyl derivatives Aryl alkyl ketones 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Alpha-amino ketones Dialkylamines Organopnictogen compounds Organic oxides Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Alkyl-phenylketone - Benzoyl - Catechol - Aryl alkyl ketone - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Monocyclic benzene moiety - Benzenoid - Alpha-aminoketone - Secondary amine - Secondary aliphatic amine - Amine - Organic oxide - Organonitrogen compound - Organopnictogen compound - Organic nitrogen compound - Hydrocarbon derivative - Hydrochloride - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group.
• 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: DMSO 44 mg/mL Water 44 mg/mL Ethanol <1 mg/mL
• Sensitivity: Moisture & Light & Air sensitive
• Melt Point(°C): 244-249°C
• Molecular Weight: 217.650 g/mol
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 217.051 Da
• Monoisotopic Mass: 217.051 Da
• Topological Polar Surface Area: 69.600 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 184.000
• 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

XLogP3