L-Serine methyl ester hydrochloride - ≥98% , CAS No.5680-80-8

CAS: 5680-80-8 Cat. No.: S109008 Molecular Weight: 155.58 Beilstein Registry Number: 3559591 EC Number: 227-140-7 PubChem CID: 2723730

GRADE & PURITY ≥98%

Synonyms

AKOS015846051 | DTXSID801323780 | EN300-71341 | HY-32687A | L-(+)-serine methyl ester hydrochloride | (S)-2-Amino-3-hydroxypropanoic acid methyl ester HCl | AM82213 | L-serine methyl ester, hydrochloride | methyl serinate hydrochloride | STR01147 | L-Seri

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

AKOS015846051 | DTXSID801323780 | EN300-71341 | HY-32687A | L-(+)-serine methyl ester hydrochloride | (S)-2-Amino-3-hydroxypropanoic acid methyl ester HCl | AM82213 | L-serine methyl ester, hydrochloride | methyl serinate hydrochloride | STR01147 | L-Seri

Specifications & Purity

≥98%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504760802
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504760802
• Canonical Smiles: COC(=O)C(CO)N.Cl
• IUPAC Name: methyl (2S)-2-amino-3-hydroxypropanoate;hydrochloride
• InChIKey: NDBQJIBNNUJNHA-DFWYDOINSA-N
• INCHI: 1S/C4H9NO3.ClH/c1-8-4(7)3(5)2-6;/h3,6H,2,5H2,1H3;1H/t3-;/m0./s1
• Isomeric SMILES: COC(=O)[C@H](CO)N.Cl
• WGK Germany: 3
• PubChem CID: 2723730
• Molecular Weight: 155.58
• Beilstein: 3559591
• Reaxy-Rn: 3559591

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: Serine and derivatives Beta hydroxy acids and derivatives Methyl esters Monocarboxylic acids and derivatives Primary alcohols Organopnictogen compounds Organic oxides Monoalkylamines Hydrochlorides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Alpha-amino acid ester - Serine or derivatives - Beta-hydroxy acid - Hydroxy acid - Methyl ester - Carboxylic acid ester - Monocarboxylic acid or derivatives - Alcohol - Hydrochloride - Primary amine - Primary alcohol - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Primary aliphatic amine - Organic oxide - Organopnictogen compound - Carbonyl group - Organic oxygen compound - Amine - Organic nitrogen compound - 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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in water (50 mg/ml), and methanol
• Sensitivity: Moisture Sensitive
• Specific Rotation[α]: +3.4°, c = 4 in methanol
• Melt Point(°C): 163-165°C
• Molecular Weight: 155.580 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 155.035 Da
• Monoisotopic Mass: 155.035 Da
• Topological Polar Surface Area: 72.600 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 83.400
• 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

References

1. Luyao Zheng, Zhiyuan Zhao, Ye Yang, Yaming Li, Chengxiao Wang.  (2020)  Novel skin permeation enhancers based on amino acid ester ionic liquid: Design and permeation mechanism.  INTERNATIONAL JOURNAL OF PHARMACEUTICS,      [PMID:31953082] [10.1016/j.ijpharm.2020.119031]