(S)-Methyl 2-(methylamino)propanoate hydrochloride - ≥98% , CAS No.20045-77-6

CAS: 20045-77-6 Cat. No.: S587983 Molecular Weight: 153.61 EC Number: 845-565-1 PubChem CID: 13850987

GRADE & PURITY ≥98%

Synonyms

EN300-125473 | CYMQHMBRKIJBGI-WCCKRBBISA-N | FD21060 | methyl (2S)-2-(methylamino)propanoate;hydrochloride | AS-48943 | N-Me-Ala-OMe | Methyl methyl-L-alaninate hydrochloride | L-Alanine, N-methyl-,methyl ester Hydrochloride | methyl (2S)-2-(methylamino)p

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

Synonyms

EN300-125473 | CYMQHMBRKIJBGI-WCCKRBBISA-N | FD21060 | methyl (2S)-2-(methylamino)propanoate;hydrochloride | AS-48943 | N-Me-Ala-OMe | Methyl methyl-L-alaninate hydrochloride | L-Alanine, N-methyl-, methyl ester Hydrochloride | methyl (2S)-2-(methylamino)p

Specifications & Purity

≥98%

Storage

Room temperature, Argon charged

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504767517
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504767517
• Canonical Smiles: CC(C(=O)OC)NC.Cl
• IUPAC Name: methyl (2S)-2-(methylamino)propanoate;hydrochloride
• InChIKey: CYMQHMBRKIJBGI-WCCKRBBISA-N
• INCHI: 1S/C5H11NO2.ClH/c1-4(6-2)5(7)8-3;/h4,6H,1-3H3;1H/t4-;/m0./s1
• Isomeric SMILES: C[C@@H](C(=O)OC)NC.Cl
• PubChem CID: 13850987
• Molecular Weight: 153.61

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class 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
• Class: 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: Alanine and derivatives Quaternary ammonium salts Methyl esters Monocarboxylic acids and derivatives Dialkylamines Organic oxides Organic chloride salts Hydrocarbon derivatives Carbonyl compounds Organic cations
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Alpha-amino acid ester - Alanine or derivatives - Quaternary ammonium salt - Methyl ester - Carboxylic acid ester - Monocarboxylic acid or derivatives - Secondary aliphatic amine - Organic chloride salt - Organic salt - Organic oxide - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organic cation - Aliphatic acyclic compound
• Description: 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

Chemical and Physical Properties

• Molecular Weight: 153.610 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 153.056 Da
• Monoisotopic Mass: 153.056 Da
• Topological Polar Surface Area: 38.300 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 82.500
• 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: 2

XLogP3