L-Leucine tert-butyl ester hydrochloride - ≥98% , CAS No.2748-02-9

CAS: 2748-02-9 Cat. No.: L116989 Molecular Weight: 223.74 Beilstein Registry Number: 3697141 EC Number: 854-169-8

GRADE & PURITY ≥98%

Synonyms

AKOS015924108 | leucine t-butyl ester hydrochloride | VFAVNRVDTAPBNR-UBHSHLNASA-N | AC-35036 | RFUWRXIYTQGFGA-QRPNPIFTSA-N | AM20090344 | L-leucin-tert.-butylester-hydrochloride | H-Leu-OtBu.HCl | L-leucine tert-butyl ester-hydrochloride | EN300-107996 |

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

AKOS015924108 | leucine t-butyl ester hydrochloride | VFAVNRVDTAPBNR-UBHSHLNASA-N | AC-35036 | RFUWRXIYTQGFGA-QRPNPIFTSA-N | AM20090344 | L-leucin-tert.-butylester-hydrochloride | H-Leu-OtBu.HCl | L-leucine tert-butyl ester-hydrochloride | EN300-107996 |

Specifications & Purity

≥98%

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

≥98%

Names and Identifiers

• Pubchem Sid: 504767116
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504767116
• Canonical Smiles: CC(C)CC(C(=O)OC(C)(C)C)N.Cl
• IUPAC Name: tert-butyl (2S)-2-amino-4-methylpentanoate;hydrochloride
• InChIKey: RFUWRXIYTQGFGA-QRPNPIFTSA-N
• INCHI: 1S/C10H21NO2.ClH/c1-7(2)6-8(11)9(12)13-10(3,4)5;/h7-8H,6,11H2,1-5H3;1H/t8-;/m0./s1
• Isomeric SMILES: CC(C)C[C@@H](C(=O)OC(C)(C)C)N.Cl
• WGK Germany: 3
• Molecular Weight: 223.74
• Beilstein: 3697141
• Reaxy-Rn: 6317610
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6317610&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 Quaternary ammonium salts Carboxylic acid esters Monocarboxylic acids and derivatives Organic oxides Organic chloride salts Monoalkylamines Hydrocarbon derivatives Carbonyl compounds Organic cations
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Leucine or derivatives - Alpha-amino acid ester - Fatty acid ester - Fatty acyl - Quaternary ammonium salt - Carboxylic acid ester - Monocarboxylic acid or derivatives - Organic nitrogen compound - Amine - Organic salt - Organic chloride salt - Primary amine - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Primary aliphatic amine - Organic oxide - Organic oxygen compound - Carbonyl group - Organic cation - 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

Chemical and Physical Properties

• Specific Rotation[α]: 20 ° (C=2, EtOH)
• Melt Point(°C): 167°C
• Molecular Weight: 223.740 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 223.134 Da
• Monoisotopic Mass: 223.134 Da
• Topological Polar Surface Area: 52.300 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 170.000
• 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

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