L-Alanine-15N - ≥10 atom%,≥98.5% , CAS No.25713-23-9

CAS: 25713-23-9 Cat. No.: A117757 Formula: C₃H₇¹⁵NO₂ Peso molecolare: 90.09

QUALITÀ & PUREZZA ≥10 atom%,≥98.5%

Synonyms

(2S)-2-(15N)azanylpropanoic acid|L-Alanine-15N|L-ALANINE 15N

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifiche

Sinonimi

(2S)-2-(15N)azanylpropanoic acid | L-Alanine-15N | L-ALANINE 15N

Specifiche e purezza

≥10 atom%,≥98.5%

Condizioni di conservazione di stoccaggio

Argon charged,Room temperature

Spedito in

Normal

Purezza

≥10 atom%,≥98.5%

Nomi e identificatori

Pubchem Sid

508810623

Sorrisi canonici

CC(C(=O)O)N

IUPAC Name

(2S)-2-(15N)azanylpropanoic acid

InChIKey

QNAYBMKLOCPYGJ-GZPBOPPUSA-N

INCHI

1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1/i4+1

Isomeri SMILES

C[C@@H](C(=O)O)[15NH2]

WGK Germania

1

Peso molecolare

90.09

Reaxy-Rn

635807

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=635807&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 Alanine 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: 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
• Descrizione: 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

Proprietà chimiche e fisiche

• Sensibilità: Moisture sensitive
• Rotazione specifica [α]: [α]25/D +14.5°, c = 2 in 1 M HCl
• Punto di fusione (°C): 314.5°C
• Peso molecolare: 90.090 g/mol
• XLogP3: -3.000
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 90.0447 Da
• Monoisotopic Mass: 90.0447 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