4-Methylmorpholine N-oxide Hydrate - ≥95% , CAS No.80913-66-2

CAS: 80913-66-2 Cat. No.: D304700 Fórmula: C5H11NO2.xH2O Peso molecular: 117.14 Número EC: 849-361-3

GRADE & PURITY ≥95%

Synonyms

4-Methylmorpholine N-oxide monohydrate|70187-32-5|4-Methylmorpholine N-oxide Hydrate|80913-66-2|N-Methylmorpholine N-oxide monohydrate|4-Methylmorpholine 4-oxide hydrate|N-methylmorpholine oxide monohydrate|MFCD00149388|N-methylmorpholine-N-oxide monohydr

Storage

Room temperature,Desiccated

Shipped In

Normal

Specifications

Sinónimos

4-Methylmorpholine N-oxide monohydrate | 70187-32-5 | 4-Methylmorpholine N-oxide Hydrate | 80913-66-2 | N-Methylmorpholine N-oxide monohydrate | 4-Methylmorpholine 4-oxide hydrate | N-methylmorpholine oxide monohydrate | MFCD00149388 | N-methylmorpholine-N-oxide monohydr

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Room temperature,Desiccated

Enviado en

Normal

Pureza

≥95%

Nombres e identificadores

Sonrisas canónicas

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

Isómeros SMILES

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

Peso molecular

117.14

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
    • Clase Oxazinanes
      • Subclass Morpholines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: 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
• Descripción: 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

Propiedades químicas y físicas

• Peso molecular: 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