N-Methyl-L-proline - ≥98% , CAS No.475-11-6

CAS: 475-11-6 Cat. No.: N170507 Fórmula: C₆H₁₁NO₂ Peso molecular: 129.16 Número EC: 849-164-2

GRADE & PURITY ≥98%

Synonyms

methylproline | HY-21754 | (S)-methylproline | h-n-me-pro-oh | 3BY | CHEBI:90344 | EN300-311806 | L-Proline, 1-methyl- | (2S)-1-methylpyrrolidine-2-carboxylic acid | HYGRIC ACID | (2S)-1-methylpyrrolidin-1-ium-2-carboxylate | AKOS015851033 | DTXSID3034919

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

methylproline | HY-21754 | (S)-methylproline | h-n-me-pro-oh | 3BY | CHEBI:90344 | EN300-311806 | L-Proline, 1-methyl- | (2S)-1-methylpyrrolidine-2-carboxylic acid | HYGRIC ACID | (2S)-1-methylpyrrolidin-1-ium-2-carboxylate | AKOS015851033 | DTXSID3034919

Especificaciones y pureza

≥98%

Mecanismos bioquímicos y fisiológicos

N-Methyl-L-proline is a proline analogue present in citrus fruits.

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%

Nombres e identificadores

Pubchem Sid

504759743

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504759743

Sonrisas canónicas

CN1CCCC1C(=O)O

IUPAC Name

(2S)-1-methylpyrrolidine-2-carboxylic acid

InChIKey

CWLQUGTUXBXTLF-YFKPBYRVSA-N

INCHI

1S/C6H11NO2/c1-7-4-2-3-5(7)6(8)9/h5H,2-4H2,1H3,(H,8,9)/t5-/m0/s1

Isómeros SMILES

CN1CCC[C@H]1C(=O)O

Peso molecular

129.16

Reaxy-Rn

81102

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=81102&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 Proline and derivatives

• 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: Proline and derivatives
• Alternative Parents: L-alpha-amino acids Pyrrolidine carboxylic acids N-alkylpyrrolidines Trialkylamines Amino acids Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Proline or derivatives - Alpha-amino acid - L-alpha-amino acid - Pyrrolidine carboxylic acid - Pyrrolidine carboxylic acid or derivatives - N-alkylpyrrolidine - Pyrrolidine - Tertiary amine - Tertiary aliphatic amine - Amino acid - Monocarboxylic acid or derivatives - Carboxylic acid - Organoheterocyclic compound - Azacycle - Amine - Organic nitrogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Hydrocarbon derivative - Aliphatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as proline and derivatives. These are compounds containing proline or a derivative thereof resulting from reaction of proline at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
• 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

• Sensibilidad: Heat sensitive
• Punto de fusión (°C): 114-116 °C
• Peso molecular: 129.160 g/mol
• XLogP3: -1.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 129.079 Da
• Monoisotopic Mass: 129.079 Da
• Topological Polar Surface Area: 40.500 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 124.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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

Preguntas frecuentes

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 475-11-6, the molecular formula is C6H11NO2, and the molecular weight is 129.16 g/mol. InChIKey CWLQUGTUXBXTLF-YFKPBYRVSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.