L-Leucine methyl ester hydrochloride - ≥98% , CAS No.7517-19-3

CAS: 7517-19-3 Cat. No.: L109004 Molecular Weight: 181.66 Beilstein Registry Number: 3595133 EC Number: 231-375-0

GRADE & PURITY ≥98%

Synonyms

J-300169 | H-Leu-OMe hydrochloride | methyl (2S)-2-amino-4-methylpentanoate hydrochloride | (l)-leucine methyl ester hydrochloride salt | AC-23480 | FD21898 | L-Leu-OMe.HCl | (S)-Methyl 2-amino-4-methylpentanoate hydrochloride | L0155 | L-leucine methyles

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

J-300169 | H-Leu-OMe hydrochloride | methyl (2S)-2-amino-4-methylpentanoate hydrochloride | (l)-leucine methyl ester hydrochloride salt | AC-23480 | FD21898 | L-Leu-OMe.HCl | (S)-Methyl 2-amino-4-methylpentanoate hydrochloride | L0155 | L-leucine methyles

Specifications & Purity

≥98%

Storage

Store at 2-8°C, Protected from light, Argon charged

Shipped In

Wet ice

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

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504760796
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504760796
• Canonical Smiles: CC(C)CC(C(=O)OC)N.Cl
• IUPAC Name: methyl (2S)-2-amino-4-methylpentanoate;hydrochloride
• InChIKey: DODCBMODXGJOKD-RGMNGODLSA-N
• INCHI: 1S/C7H15NO2.ClH/c1-5(2)4-6(8)7(9)10-3;/h5-6H,4,8H2,1-3H3;1H/t6-;/m0./s1
• Isomeric SMILES: CC(C)C[C@@H](C(=O)OC)N.Cl
• WGK Germany: 3
• Alternate CAS: 2666-93-5
• Molecular Weight: 181.66
• Beilstein: 3595133
• Reaxy-Rn: 4237207
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4237207&ln=

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 Leucine and derivatives

• 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: Leucine and derivatives
• Alternative Parents: Alpha amino acid esters Fatty acid esters Methyl esters Monocarboxylic acids and derivatives Organopnictogen compounds Organic oxides Monoalkylamines Hydrochlorides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Leucine or derivatives - Alpha-amino acid ester - Fatty acid ester - Fatty acyl - Methyl ester - Carboxylic acid ester - Monocarboxylic acid or derivatives - Hydrochloride - Organic oxygen compound - Organic oxide - Primary amine - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Organopnictogen compound - Carbonyl group - Amine - Organic nitrogen compound - Hydrocarbon derivative - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as leucine and derivatives. These are compounds containing leucine or a derivative thereof resulting from reaction of leucine 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

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: Moisture sensitive;Light sensitive
• Specific Rotation[α]: 13 ° (C=2, H2O)
• Melt Point(°C): 148-150°C
• Molecular Weight: 181.660 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 181.087 Da
• Monoisotopic Mass: 181.087 Da
• Topological Polar Surface Area: 52.300 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 112.000
• 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: 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]