L-Alanine-3-¹³C - ≥99 atom% 13C , CAS No.65163-25-9

CAS: 65163-25-9 Cat. No.: L473944 Summenformel: ¹³CH₃CH(NH₂)CO₂H Molekulargewicht: 90.09

GRADE & PURITY ≥99 atom% 13C

Synonyms

(2S)-2-amino(313C)propanoic acid | L-Alanine-3-13C, S & P tested, 99 atom % 13C | L-Alanine-3-13C, 99 atom % 13C | HY-N0229S6 | L-Alanine(3-13c) | DTXSID60458962 | L-Alanine-3-13C | (S)-2-Aminopropionic acid | L-alpha-Aminopropionic acid

Storage

Protected from light,Room temperature

Shipped In

Normal

Specifications

Synonyme

(2S)-2-amino(313C)propanoic acid | L-Alanine-3-13C, S & P tested, 99 atom % 13C | L-Alanine-3-13C, 99 atom % 13C | HY-N0229S6 | L-Alanine(3-13c) | DTXSID60458962 | L-Alanine-3-13C | (S)-2-Aminopropionic acid | L-alpha-Aminopropionic acid

Spezifikationen & Reinheit

≥99 atom% 13C

Storage

Protected from light,Room temperature

Verschickt in

Normal

Reinheit

≥99 atom% 13C

Namen und Kennungen

Kanonisches Lächeln

CC(C(=O)O)N

IUPAC Name

(2S)-2-amino(313C)propanoic acid

InChIKey

QNAYBMKLOCPYGJ-IJGDANSWSA-N

INCHI

1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1/i1+1

Isomere SMILES

[13CH3][C@@H](C(=O)O)N

Alternative CAS-Nummer

56-41-7 (Unlabeled)

Molekulargewicht

90.09

Reaxy-Rn

4840061

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4840061&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Klasse Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Ebene5 Amino acids and derivatives
          • Ebene6 Alpha amino acids and derivatives
            • Ebene7 Alanine and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Klasse: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives - Alpha amino acids and derivatives
• Direct Parent: Alanine and derivatives
• Alternative Parents: L-alpha-amino acids Amino acids Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Alanine or derivatives - Alpha-amino acid - L-alpha-amino acid - Amino acid - Carboxylic acid - Monocarboxylic acid or derivatives - Organic oxygen compound - Primary amine - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Primary aliphatic amine - Carbonyl group - Amine - Hydrocarbon derivative - Organic oxide - Aliphatic acyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as alanine and derivatives. These are compounds containing alanine or a derivative thereof resulting from reaction of alanine 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

Chemische und physikalische Eigenschaften

• Empfindlichkeit: Light and moisture sensitive
• Schmelzpunkt (°C): 314.5℃ (dec.) (lit.)
• Molekulargewicht: 90.090 g/mol
• XLogP3: -3.000
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 90.051 Da
• Monoisotopic Mass: 90.051 Da
• Topological Polar Surface Area: 63.300 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 61.800
• Isotope Atom Count: 1
• 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