4-Methylmorpholine N-oxide monohydrate - ≥98% , CAS No.70187-32-5

CAS: 70187-32-5 Cat. No.: M123105 分子式: C₅H₁₁NO₂·H₂O 分子量: 135.16 Beilstein Registry Number: 507437 EC番号: 676-991-4

グレード＆純度 ≥98%

Synonyms

N-methylmorpholine oxide monohydrate | N-Methylmorpholine N-oxide monohydrate | 4-Methylmorpholine 4-oxide monohydrate | 4-methylmorpholine oxide monohydrate

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

概要

4-Methylmorpholine N-oxide (MNO) monohydrate can be used:As a reagent in the dihydroxylation and aminohydroxylation of olefins in the presence of osmium tetroxide (OsO4) catalyst.In the selective oxidation of sulphides to sulfoxides or sulfones in the presence of manganese and copper complexes with tetradentate ligands.

仕様

同義語

N-methylmorpholine oxide monohydrate | N-Methylmorpholine N-oxide monohydrate | 4-Methylmorpholine 4-oxide monohydrate | 4-methylmorpholine oxide monohydrate

仕様と純度

≥98%

保管条件

Store at 2-8°C,Argon charged

入荷

Wet ice

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

純度

≥98%

名前と識別子

パブケム・シド

488192256

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/488192256

カノニカル・スマイル

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

IUPAC Name

4-methyl-4-oxidomorpholin-4-ium;hydrate

InChIKey

WAZPLXZGZWWXDQ-UHFFFAOYSA-N

INCHI

1S/C5H11NO2.H2O/c1-6(7)2-4-8-5-3-6;/h2-5H2,1H3;1H2

異性体SMILES

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

WGKドイツ

1

代替CAS番号

80913-66-2

分子量

135.16

Beilstein

507437

Reaxy-Rn

5449441

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5449441&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: 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
• 説明: 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: 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

化学的性質と物理的性質

• 溶解度: Soluble in water.
• 感度: Hygroscopic
• 融点（°C）: 73-76°C
• 分子量: 135.160 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 135.09 Da
• Monoisotopic Mass: 135.09 Da
• Topological Polar Surface Area: 28.300 Ų
• Heavy Atom Count: 9
• 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: 2

XLogP3