L-Theanine - Animal Free, Moligand™, ≥98%, fermentation method , CAS No.3081-61-6

CAS: 3081-61-6 Cat. No.: T1521655 Formula: C₇H₁₄N₂O₃ Peso molecolare: 174.20 Numero EC: 221-379-0

GRADE & PURITY Animal Free, Moligand™, ≥98%, fermentation method

Synonyms

N-γ-Ethyl-L-glutamine | L-γ-Glutamylethylamide | L-Glutamic Acid γ-ethyl amide

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

Specifications

Sinonimi

N-γ-Ethyl-L-glutamine | L-γ-Glutamylethylamide | L-Glutamic Acid γ-ethyl amide

Specifiche e purezza

Animal Free, Moligand™, ≥98%, fermentation method

Condizioni di conservazione di stoccaggio

Store at 2-8°C,Desiccated

Spedito in

Wet ice

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Grado

Animal Free, Moligand™

Purezza

≥98%

Nomi e identificatori

Sorrisi canonici

CCNC(=O)CCC(C(=O)O)N

IUPAC Name

(2S)-2-amino-5-(ethylamino)-5-oxopentanoic acid

InChIKey

DATAGRPVKZEWHA-YFKPBYRVSA-N

INCHI

1S/C7H14N2O3/c1-2-9-6(10)4-3-5(8)7(11)12/h5H,2-4,8H2,1H3,(H,9,10)(H,11,12)/t5-/m0/s1

Isomeri SMILES

CCNC(=O)CC[C@@H](C(=O)O)N

WGK Germania

3

Peso molecolare

174.20

Reaxy-Rn

2362121

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2362121&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives
            • Level7 Glutamine and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives - Alpha amino acids and derivatives
• Direct Parent: Glutamine and derivatives
• Alternative Parents: L-alpha-amino acids N-acyl amines Fatty acids and conjugates Secondary carboxylic acid amides Amino acids Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Glutamine or derivatives - Alpha-amino acid - L-alpha-amino acid - Fatty amide - N-acyl-amine - Fatty acid - Fatty acyl - Carboxamide group - Secondary carboxylic acid amide - Amino acid - Monocarboxylic acid or derivatives - Carboxylic acid - Organic nitrogen compound - Primary amine - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Primary aliphatic amine - Organic oxygen compound - Carbonyl group - Organic oxide - Amine - Hydrocarbon derivative - Aliphatic acyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as glutamine and derivatives. These are compounds containing glutamine or a derivative thereof resulting from reaction of glutamine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
• External Descriptors: N(5)-alkyl-L-glutamine

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

Proprietà chimiche e fisiche

• Solubilità: Soluble in water; Insoluble in Ether,Alcohol
• Sensibilità: Moisture sensitive
• Rotazione specifica [α]: 8 ° (C=5, H2O)
• Punto di fusione (°C): 207°C
• Peso molecolare: 174.200 g/mol
• XLogP3: -3.600
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 174.1 Da
• Monoisotopic Mass: 174.1 Da
• Topological Polar Surface Area: 92.400 Ų
• Heavy Atom Count: 12
• 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: 1