β-Alanine-¹³C₃,¹⁵N - ≥98 atom% 15N,≥99 atom% 13C,≥98% , CAS No.285978-07-6

CAS: 285978-07-6 Cat. No.: A474046 Formule: H₂¹⁵N¹³CH₂¹³CH₂¹³CO₂H Poids moléculaire: 93.06

GRADE & PURITY ≥98 atom% 15N,≥99 atom% 13C,≥98%

Synonyms

beta-(~13~C_3_,~15~N)Alanine | DTXSID20583981 | beta-Alanine-13C3,15N | J-017140 | beta-Alanine-13C3,15N, 99 atom % 13C, 98 atom % 15N | Beta-alanine 13C3,15N | 3-(15N)Azanyl(1,2,3-13C3)propanoic acid

Storage

Protected from light,Room temperature,Argon charged

Shipped In

Normal

Specifications

Synonymes

beta-(~13~C_3_,~15~N)Alanine | DTXSID20583981 | beta-Alanine-13C3,15N | J-017140 | beta-Alanine-13C3,15N, 99 atom % 13C, 98 atom % 15N | Beta-alanine 13C3,15N | 3-(15N)Azanyl(1,2,3-13C3)propanoic acid

Spécifications et pureté

≥98 atom% 15N,≥99 atom% 13C,≥98%

Conditions de stockage de stockage

Protected from light,Room temperature,Argon charged

Expédié en

Normal

Pureté

≥98 atom% 15N,≥99 atom% 13C,≥98%

Noms et identifiants

• Sourires canoniques: C(CN)C(=O)O
• IUPAC Name: 3-(15N)azanyl(1,2,3-13C3)propanoic acid
• InChIKey: UCMIRNVEIXFBKS-JCDJMFQYSA-N
• INCHI: 1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6)/i1+1,2+1,3+1,4+1
• Isomères SMILES: [13CH2]([13CH2][15NH2])[13C](=O)O
• Poids moléculaire: 93.06
• Reaxy-Rn: 906793
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=906793&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 Beta amino acids 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
• Direct Parent: Beta amino acids and derivatives
• Alternative Parents: Amino acids Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Beta amino acid or derivatives - Amino acid - Carboxylic acid - Monocarboxylic acid or derivatives - Amine - Organic oxide - Hydrocarbon derivative - Primary amine - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Primary aliphatic amine - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as beta amino acids and derivatives. These are amino acids having a (-NH2) group attached to the beta carbon atom.
• 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

Propriétés chimiques et physiques

• Sensibilité: Light and moisture sensitive
• Point d'éclair (°F): Not applicable
• Point d'éclair (°C): Not applicable
• Point de fusion (°C): 205℃ (dec.) (lit.)
• Poids moléculaire: 93.065 g/mol
• XLogP3: -3.000
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 93.0548 Da
• Monoisotopic Mass: 93.0548 Da
• Topological Polar Surface Area: 63.300 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 52.800
• Isotope Atom Count: 4
• Defined Atom Stereocenter Count: 0
• 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

Foire aux questions

What is the purity of this product?

This product is isotopically enriched to ≥98 atom% nitrogen-15. Isotopic enrichment is a separate specification from chemical purity — a labelled compound has both. This product is isotopically enriched to ≥99 atom% carbon-13. Isotopic enrichment is a separate specification from chemical purity — a labelled compound has both. This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature, protected from light, under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 285978-07-6, the molecular formula is H21?N13CH213CH213CO2H, and the molecular weight is 93.06 g/mol. InChIKey UCMIRNVEIXFBKS-JCDJMFQYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.