N-Benzylhydroxylamine hydrochloride - ≥97% , CAS No.29601-98-7

CAS: 29601-98-7 Cat. No.: I137166 Peso molecular: 159.61 Beilstein Registry Number: 507948 Número EC: 629-276-6

GRADE & PURITY ≥97%

Synonyms

N-Benzylhydroxylamine hydrochloride, 95% | BCP07876 | Benzenemethanamine, N-hydroxy-, hydrochloride (1:1) | SB36439 | AM20120645 | Safranine TN | N-benzylhydroxylamine;hydron;chloride | N-Benzylhydroxylamine HCl | YSNXOQGDHGUKCZ-UHFFFAOYSA-N | MFCD0004337

Storage

Argon charged,Room temperature

Shipped In

Normal

Descripción general

It was a formation of nitrones from carbonyl compounds and [2+3]-cycloaddition with olefins to isoxazolidines, which are versatile intermediates.(1),(2),(3),(4) Pd-catalyzed hydroxylamination of allylic esters.
It may be used in the preparation of a precursor to hitherto unknown aminocyclopentitol derivative, hydroxy functionalised 4-exo-ethoxycarbonyl-3-oxa-2-azabicyclo[3.3.0]octane system.

Specifications

Sinónimos

N-Benzylhydroxylamine hydrochloride, 95% | BCP07876 | Benzenemethanamine, N-hydroxy-, hydrochloride (1:1) | SB36439 | AM20120645 | Safranine TN | N-benzylhydroxylamine;hydron;chloride | N-Benzylhydroxylamine HCl | YSNXOQGDHGUKCZ-UHFFFAOYSA-N | MFCD0004337

Especificaciones y pureza

≥97%

Mecanismos bioquímicos y fisiológicos

N-Benzylhydroxylamine is a potential pharmacological agent in the prevention and progression of acrolein-induced damage to the retinal pigment epithelium3.

Condiciones de almacenamiento de almacenamiento

Argon charged, Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 504766304
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504766304
• Sonrisas canónicas: C1=CC=C(C=C1)CNO.Cl
• IUPAC Name: N-benzylhydroxylamine;hydrochloride
• InChIKey: YSNXOQGDHGUKCZ-UHFFFAOYSA-N
• INCHI: 1S/C7H9NO.ClH/c9-8-6-7-4-2-1-3-5-7;/h1-5,8-9H,6H2;1H
• Isómeros SMILES: C1=CC=C(C=C1)CNO.Cl
• WGK Alemania: 3
• CAS alternativo: 622-30-0
• Peso molecular: 159.61
• Beilstein: 507948
• Reaxy-Rn: 3563170
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3563170&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzene and substituted derivatives
• Alternative Parents: N-organohydroxylamines Organic oxygen compounds Organic chloride salts Hydrocarbon derivatives Organic cations
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Monocyclic benzene moiety - N-organohydroxylamine - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic chloride salt - Organic salt - Organonitrogen compound - Organic cation - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.
• 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

Propiedades químicas y físicas

• Solubilidad: Partly Soluble in water.
• Sensibilidad: Hygroscopic
• Punto de fusión (°C): 106 °C
• Peso molecular: 159.610 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 159.045 Da
• Monoisotopic Mass: 159.045 Da
• Topological Polar Surface Area: 32.299 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 69.300
• 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