4-Methylmorpholin-2-one - ≥95% , CAS No.18424-96-9

CAS: 18424-96-9 Cat. No.: M191721 Fórmula: C₅H₉NO₂ Peso molecular: 115.13

GRADE & PURITY ≥95%

Synonyms

2-Morpholinone, 4-methyl-, | MFCD16659615 | N-methyl-2-morpholinone | DTXSID60334070 | 4-methyl-2-morpholinone | SCHEMBL178511 | AKOS016005889 | 4-methyl-morpholin-2-one | 4-methylmorpholin-2-one | SY114243 | A4077 | AS-57912 | PB48755

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

2-Morpholinone, 4-methyl-, | MFCD16659615 | N-methyl-2-morpholinone | DTXSID60334070 | 4-methyl-2-morpholinone | SCHEMBL178511 | AKOS016005889 | 4-methyl-morpholin-2-one | 4-methylmorpholin-2-one | SY114243 | A4077 | AS-57912 | PB48755

Especificações e pureza

≥95%

Condições de armazenamento de armazenamento

Store at -20°C,Argon charged

Enviado em

Ice chest + Ice pads

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥95%

Nomes e identificadores

• Sorrisos canónicos: CN1CCOC(=O)C1
• IUPAC Name: 4-methylmorpholin-2-one
• InChIKey: NMAIBUJJZUMSPH-UHFFFAOYSA-N
• INCHI: 1S/C5H9NO2/c1-6-2-3-8-5(7)4-6/h2-4H2,1H3
• SMILES isoméricas: CN1CCOC(=O)C1
• Peso molecular: 115.13
• Reaxy-Rn: 108429
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=108429&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives
            • Level7 Alpha amino acid esters

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives - Alpha amino acids and derivatives
• Direct Parent: Alpha amino acid esters
• Alternative Parents: Morpholines Trialkylamines Lactones Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Alpha-amino acid ester - Morpholine - Oxazinane - Carboxylic acid ester - Lactone - Tertiary amine - Tertiary aliphatic amine - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Azacycle - Oxacycle - Carbonyl group - Amine - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Aliphatic heteromonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as alpha amino acid esters. These are ester derivatives of alpha amino acids.
• 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

Propriedades químicas e físicas

• Peso molecular: 115.130 g/mol
• XLogP3: 0.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 115.063 Da
• Monoisotopic Mass: 115.063 Da
• Topological Polar Surface Area: 29.500 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 103.000
• 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: 1