N-Cyclohexylhydroxylamine hydrochloride - ≥97% , CAS No.25100-12-3

CAS: 25100-12-3 Cat. No.: I169027 Molecular Weight: 151.63 EC Number: 246-612-3

GRADE & PURITY ≥97%

Synonyms

Cyclohexylhydroxylamine hydrochloride | MFCD00012565 | N-Cyclohexylhydroxylamine hydrochloride, 97% | FT-0624226 | N-Cyclohexylhydroxylaminehydrochloride | SCHEMBL1451195 | DTXSID80179788 | Cyclohexanamine,N-hydroxy-,hydrochloride(1:1) | Cyclohexanamine,

Storage

Room temperature

Shipped In

Normal

Overview

N-Cyclohexylhydroxylamine hydrochloride was used in the synthesis of: 4-carbethoxy-2-cyclohexyl-5-(2H)-isoxazolone hexahydroisoxazolequinoline analogs
N-Cyclohexylhydroxylamine hydrochloride is used in the preparation of 4-carbethoxy-2-cyclohexyl-5-(2H)-isoxazolone and hexahydroisoxazolequinoline analogs. It is also used in the preparation of N-cyclohexyl nitrone by reaction with aldehyde. Further, it acts as a hydroxylamination reagent for allyl esters. In addition to this, it serves as a reagent in the conversion of 1,2-dicarboxylic acids to alfa-beta-unsaturated carboxylic acids.

Specifications

Synonyms

Cyclohexylhydroxylamine hydrochloride | MFCD00012565 | N-Cyclohexylhydroxylamine hydrochloride, 97% | FT-0624226 | N-Cyclohexylhydroxylaminehydrochloride | SCHEMBL1451195 | DTXSID80179788 | Cyclohexanamine, N-hydroxy-, hydrochloride(1:1) | Cyclohexanamine,

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 504762432
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504762432
• Canonical Smiles: C1CCC(CC1)NO.Cl
• IUPAC Name: N-cyclohexylhydroxylamine;hydrochloride
• InChIKey: SSVAHXZUFFSFER-UHFFFAOYSA-N
• INCHI: 1S/C6H13NO.ClH/c8-7-6-4-2-1-3-5-6;/h6-8H,1-5H2;1H
• Isomeric SMILES: C1CCC(CC1)NO.Cl
• WGK Germany: 3
• Molecular Weight: 151.63
• Reaxy-Rn: 3968886
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3968886&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Class Organonitrogen compounds
      • Subclass N-organohydroxylamines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Class: Organonitrogen compounds
• Subclass: N-organohydroxylamines
• Intermediate Tree Nodes: Not available
• Direct Parent: N-organohydroxylamines
• Alternative Parents: Organopnictogen compounds Organic oxygen compounds Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: N-organohydroxylamine - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Hydrochloride - Aliphatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as n-organohydroxylamines. These are organic compounds comprising the hydroxylamine functional group, with the general structure R1ON(R2)R3 (R1,R3=H, organyl; R2 = organyl).
• 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: Soluble in water.
• Sensitivity: Moisture sensitive.
• Molecular Weight: 151.630 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 151.076 Da
• Monoisotopic Mass: 151.076 Da
• Topological Polar Surface Area: 32.299 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 59.500
• 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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