Methyl 2-(N-methylformamido)acetate - ≥98% , CAS No.68892-06-8

CAS: 68892-06-8 Cat. No.: M186032 Peso molecular: 131.1

GRADE & PURITY ≥98%

Synonyms

Methyl 2-(N-methylformamido)acetate|68892-06-8|Glycine, N-formyl-N-methyl-, methyl ester|methyl 2-[formyl(methyl)amino]acetate|Methyl N-formyl-N-methylglycinate|N-Formyl-N-methylglycine methyl ester|EINECS 272-594-1|n-formyl sarcosine methyl ester|SCHEMBL

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

Methyl 2-(N-methylformamido)acetate | 68892-06-8 | Glycine, N-formyl-N-methyl-, methyl ester | methyl 2-[formyl(methyl)amino]acetate | Methyl N-formyl-N-methylglycinate | N-Formyl-N-methylglycine methyl ester | EINECS 272-594-1 | n-formyl sarcosine methyl ester | SCHEMBL

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: CN(CC(=O)OC)C=O
• IUPAC Name: methyl 2-[formyl(methyl)amino]acetate
• InChIKey: YPHUWLXQOBCRNQ-UHFFFAOYSA-N
• INCHI: 1S/C5H9NO3/c1-6(4-7)3-5(8)9-2/h4H,3H2,1-2H3
• Isómeros SMILES: CN(CC(=O)OC)C=O
• Peso molecular: 131.1
• Reaxy-Rn: 1761122
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1761122&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase 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
• Clase: 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: Tertiary carboxylic acid amides Methyl esters Monocarboxylic acids and derivatives Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Alpha-amino acid ester - Methyl ester - Tertiary carboxylic acid amide - Carboxylic acid ester - Carboxamide group - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aliphatic acyclic compound
• Descripción: 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

Propiedades químicas y físicas

• Peso molecular: 131.130 g/mol
• XLogP3: -0.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 131.058 Da
• Monoisotopic Mass: 131.058 Da
• Topological Polar Surface Area: 46.600 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 113.000
• 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