4-Methylmorpholine N-oxide（NMO） - 50 wt. % in H2O , CAS No.7529-22-8

CAS: 7529-22-8 Cat. No.: M105979 Formula: C₅H₁₁NO₂ Molecular Weight: 117.15 Beilstein Registry Number: 507437 EC Number: 231-391-8

GRADE & PURITY 50 wt. % in H2O

Synonyms

4-methylmorpholin-4-ium-4-olate | Clopononum | M2192 | N-methymorpholine N-oxide | 4-Methylmorpholine Oxide | N-methyl-morpholine N-oxide | N-Methylmorpholine N-oxide | 4-methyl morpholine N-oxide | 4-Methylmorpholine N-oxide, 97% | BP-30197 | 4-Methylmor

Storage

Store at 2-8°C

Shipped In

Wet ice

Overview

Oxidant for synthesis of novel organic polymer - inorganic hybrid for use as a catalyst for asymmetrical epoxidation. Reagent or Reactant for: Cyclocondensation and cyclization in the enantioselective synthesis of oxazolomycin A. Wharton rearrangement and stereoselective dihydroxylation reactions. Reduction of amine N-oxides by diboron reagents. Synthesis of polysaccharide blend fibers. Synthesis of cellulose / modified nano-SiO2 composite packaging films. Copper-catalyzed oxidative coupling for preparation of propargylamines. Used as a pretreatment for techno-economical study of ethanol and biogas production from spruce wood.

Specifications

Synonyms

4-methylmorpholin-4-ium-4-olate | Clopononum | M2192 | N-methymorpholine N-oxide | 4-Methylmorpholine Oxide | N-methyl-morpholine N-oxide | N-Methylmorpholine N-oxide | 4-methyl morpholine N-oxide | 4-Methylmorpholine N-oxide, 97% | BP-30197 | 4-Methylmor

Specifications & Purity

50 wt. % in H2O

Storage

Store at 2-8°C

Shipped In

Wet ice

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

Names and Identifiers

Pubchem Sid

508810942

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/508810942

Canonical Smiles

C[N+]1(CCOCC1)[O-]

IUPAC Name

4-methyl-4-oxidomorpholin-4-ium

InChIKey

LFTLOKWAGJYHHR-UHFFFAOYSA-N

INCHI

1S/C5H11NO2/c1-6(7)2-4-8-5-3-6/h2-5H2,1H3

Isomeric SMILES

C[N+]1(CCOCC1)[O-]

WGK Germany

1

Molecular Weight

117.15

Beilstein

507437

Reaxy-Rn

507437

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=507437&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Oxazinanes
      • Subclass Morpholines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Oxazinanes
• Subclass: Morpholines
• Intermediate Tree Nodes: Not available
• Direct Parent: Morpholines
• Alternative Parents: Trialkyl amine oxides Trisubstituted amine oxides and derivatives Oxacyclic compounds Dialkyl ethers Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Morpholine - Trialkyl amine oxide - N-oxide - Dialkyl ether - Ether - Trisubstituted n-oxide - Azacycle - Oxacycle - Organooxygen compound - Organic nitrogen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Organopnictogen compound - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as morpholines. These are organic compounds containing a morpholine moiety, which consists of a six-member aliphatic saturated ring with the formula C4H9NO, where the oxygen and nitrogen atoms lie at positions 1 and 4, respectively.
• External Descriptors: morpholine N-oxide

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, methanol, ethanol, acetone, ethers and dimethylsulfoxide.
• Sensitivity: moisture sensitive
• Refractive Index: 1.4201
• Boil Point(°C): 118.5 °C
• Melt Point(°C): 180-184 °C (lit.)
• Molecular Weight: 117.150 g/mol
• XLogP3: -0.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 117.079 Da
• Monoisotopic Mass: 117.079 Da
• Topological Polar Surface Area: 27.300 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 78.500
• 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: 1