N,O-Dimethylhydroxylamine Hydrochloride - ≥98% , CAS No.6638-79-5

CAS: 6638-79-5 Cat. No.: D123576 Molecular Weight: 97.54 Beilstein Registry Number: 3650353 EC Number: 229-642-1

GRADE & PURITY ≥98%

Synonyms

5-Acetyl-3-chloro-10,11-dihydro-5H-dibenz(b,f)azepine | MeNHOMe-HCl | [(2S)-6-Azaniumyl-1-methoxy-1-oxohexan-2-yl]azanium;dichloride | N,O-Dimethyhydroxylamine hydrochloride | N-methoxy methaneamine hydrochloride | n,o-dimethylhydroxylamine.hydrochloride

Storage

Argon charged,Room temperature

Shipped In

Normal

Overview

N,O-Dimethylhydroxylamine Hydrochloride is used in the preparation of an inhibitor of the NLS-derived BC peptides.
Reagent for the preparation of Weinreb amides recently used in the synthesis of 2-acyloxazoles from 2-oxazolemagnesium chloride.

Specifications

Synonyms

5-Acetyl-3-chloro-10, 11-dihydro-5H-dibenz(b, f)azepine | MeNHOMe-HCl | [(2S)-6-Azaniumyl-1-methoxy-1-oxohexan-2-yl]azanium;dichloride | N, O-Dimethyhydroxylamine hydrochloride | N-methoxy methaneamine hydrochloride | n, o-dimethylhydroxylamine.hydrochloride

Specifications & Purity

≥98%

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504755505
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504755505
• Canonical Smiles: CNOC.Cl
• IUPAC Name: N-methoxymethanamine;hydrochloride
• InChIKey: USZLCYNVCCDPLQ-UHFFFAOYSA-N
• INCHI: 1S/C2H7NO.ClH/c1-3-4-2;/h3H,1-2H3;1H
• Isomeric SMILES: CNOC.Cl
• WGK Germany: 3
• Alternate CAS: 1117-97-1
• Molecular Weight: 97.54
• Beilstein: 3650353
• Reaxy-Rn: 3650353
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3650353&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 Organooxygen compounds Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: N-organohydroxylamine - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Hydrochloride - Organooxygen compound - Aliphatic acyclic 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, dimethyl sulfoxide and methanol.
• Sensitivity: Hygroscopic
• Melt Point(°C): 112-115°C
• Molecular Weight: 97.540 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 97.0294 Da
• Monoisotopic Mass: 97.0294 Da
• Topological Polar Surface Area: 21.300 Ų
• Heavy Atom Count: 5
• Formal Charge: 0
• Complexity: 10.000
• 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