DL-Norleucine methyl ester hydrochloride - ≥97% , CAS No.77300-48-2

CAS: 77300-48-2 Cat. No.: D134849 Molecular Weight: 181.66 EC Number: 991-349-6

GRADE & PURITY ≥97%

Synonyms

DL-NORLEUCINEMETHYLESTERHYDROCHLORIDE | DL-NORLEUCINE METHYL ESTER HCL | L-2-Aminohexanoic acid-methyl ester . HCl | Nidroxizona [INN-Spanish] | (1-methoxy-1-oxohexan-2-yl)azanium;chloride | A865307 | MFCD00058296 | L-Norleucinemethylesterhydrochloride |

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

DL-NORLEUCINEMETHYLESTERHYDROCHLORIDE | DL-NORLEUCINE METHYL ESTER HCL | L-2-Aminohexanoic acid-methyl ester . HCl | Nidroxizona [INN-Spanish] | (1-methoxy-1-oxohexan-2-yl)azanium;chloride | A865307 | MFCD00058296 | L-Norleucinemethylesterhydrochloride |

Specifications & Purity

≥97%

Biochemical and Physiological Mechanisms

DL-Norleucine methyl ester hydrochloride is a neurotransmitter commonly used as an internal standard.

Storage

Store at 2-8°C

Shipped In

Wet ice

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

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 504767558
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504767558
• Canonical Smiles: CCCCC(C(=O)OC)N.Cl
• IUPAC Name: methyl 2-aminohexanoate;hydrochloride
• InChIKey: FMMOVZRXLNVNBI-UHFFFAOYSA-N
• INCHI: 1S/C7H15NO2.ClH/c1-3-4-5-6(8)7(9)10-2;/h6H,3-5,8H2,1-2H3;1H
• Isomeric SMILES: CCCCC(C(=O)OC)N.Cl
• Molecular Weight: 181.66
• Reaxy-Rn: 4201627
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4201627&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 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: Fatty acid esters Quaternary ammonium salts Methyl esters Monocarboxylic acids and derivatives Organic oxides Organic chloride salts Monoalkylamines Hydrocarbon derivatives Carbonyl compounds Organic cations
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Alpha-amino acid ester - Fatty acid ester - Fatty acyl - Quaternary ammonium salt - Methyl ester - Carboxylic acid ester - Monocarboxylic acid or derivatives - Organic oxide - Organic nitrogen compound - Organic salt - Primary amine - Organooxygen compound - Organonitrogen compound - Organic chloride salt - Primary aliphatic amine - Organic oxygen compound - Hydrocarbon derivative - Carbonyl group - Amine - 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: 181.660 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• 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: 104.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

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