L-tert-Leucine methyl ester hydrochloride - ≥99% , CAS No.63038-27-7

CAS: 63038-27-7 Cat. No.: L124562 Peso molecular: 181.66 Beilstein Registry Number: 4879785 Número EC: 613-136-6

GRADE & PURITY ≥99%

Synonyms

AS-62699 | SCHEMBL737492 | L-tert-Leucine methyl ester hydrochloride, >=99.0% (AT) | L-Valine, 3-methyl-, methyl ester, hydrochloride (1:1) | HY-I0172 | (S)-methyl 2-amino-3,3-dimethylbutanoate hydrochloride | A834169 | L-tert-Leucine methyl ester hydroch

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

AS-62699 | SCHEMBL737492 | L-tert-Leucine methyl ester hydrochloride, >=99.0% (AT) | L-Valine, 3-methyl-, methyl ester, hydrochloride (1:1) | HY-I0172 | (S)-methyl 2-amino-3, 3-dimethylbutanoate hydrochloride | A834169 | L-tert-Leucine methyl ester hydroch

Especificaciones y pureza

≥99%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥99%

Nombres e identificadores

• Pubchem Sid: 504768270
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504768270
• Sonrisas canónicas: CC(C)(C)C(C(=O)OC)N.Cl
• IUPAC Name: methyl (2S)-2-amino-3,3-dimethylbutanoate;hydrochloride
• InChIKey: HRTQWUHFSXVRPY-NUBCRITNSA-N
• INCHI: 1S/C7H15NO2.ClH/c1-7(2,3)5(8)6(9)10-4;/h5H,8H2,1-4H3;1H/t5-;/m1./s1
• Isómeros SMILES: CC(C)(C)[C@@H](C(=O)OC)N.Cl
• WGK Alemania: 3
• Peso molecular: 181.66
• Beilstein: 4879785
• Reaxy-Rn: 3689143
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3689143&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase 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
• Clase: 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: Valine and derivatives 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: Alpha-amino acid ester - Valine or derivatives - 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
• Descripción: 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

Propiedades químicas y físicas

• Solubilidad: Soluble in Methanol
• Sensibilidad: Hygroscopic
• Rotación específica [α]: +13.0 to +20.0 °(C=1, Methanol)
• Punto de fusión (°C): 183°C
• Peso molecular: 181.660 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• 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: 126.000
• 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