L-Asparagine-(amide-15N) monohydrate - ≥98 atom% 15N,≥98.5% , CAS No.204451-47-8

CAS: 204451-47-8 Cat. No.: A117781 Peso molecular: 151.13

GRADE & PURITY ≥98 atom% 15N,≥98.5%

Synonyms

2,4-diamino-4-oxobutanoic acid;hydrate | A-9020 | RBMGJIZCEWRQES-UHFFFAOYSA-N | D,L-Asn.H2O | AC-24125 | SCHEMBL50254 | BCP26438 | L-asparagine hydrate pound>>L(+)-Asparagine monohydrate | L-Asparagine-amide-15n monohydrate | Dl-Asparagine Hydrate | SY035

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

2, 4-diamino-4-oxobutanoic acid;hydrate | A-9020 | RBMGJIZCEWRQES-UHFFFAOYSA-N | D, L-Asn.H2O | AC-24125 | SCHEMBL50254 | BCP26438 | L-asparagine hydrate pound>>L(+)-Asparagine monohydrate | L-Asparagine-amide-15n monohydrate | Dl-Asparagine Hydrate | SY035

Especificaciones y pureza

≥98 atom% 15N, ≥98.5%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98 atom% 15N, ≥98.5%

Nombres e identificadores

• Pubchem Sid: 504759120
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504759120
• Sonrisas canónicas: C(C(C(=O)O)N)C(=O)N.O
• IUPAC Name: 2,4-diamino-4-oxobutanoic acid;hydrate
• InChIKey: RBMGJIZCEWRQES-UHFFFAOYSA-N
• INCHI: 1S/C4H8N2O3.H2O/c5-2(4(8)9)1-3(6)7;/h2H,1,5H2,(H2,6,7)(H,8,9);1H2
• Isómeros SMILES: C(C(C(=O)O)N)C(=O)N.O
• Peso molecular: 151.13
• Reaxy-Rn: 6234992
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6234992&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 Asparagine and derivatives

• 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: Asparagine and derivatives
• Alternative Parents: Alpha amino acids Fatty amides Fatty acids and conjugates Primary 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: Asparagine or derivatives - Alpha-amino acid - Fatty amide - Fatty acid - Fatty acyl - Carboxamide group - Primary carboxylic acid amide - Amino acid - Carboxylic acid - Monocarboxylic acid or derivatives - Primary amine - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Primary aliphatic amine - Organopnictogen compound - Organic oxygen compound - Carbonyl group - Amine - Organic oxide - Hydrocarbon derivative - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as asparagine and derivatives. These are compounds containing asparagine or a derivative thereof resulting from reaction of asparagine 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

Propiedades químicas y físicas

• Índice de refracción: [α]20/D +31.5°, c = 1 in 1 M HCl
• Punto de fusión (°C): 233-235 °C
• Peso molecular: 150.130 g/mol
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 150.064 Da
• Monoisotopic Mass: 150.064 Da
• Topological Polar Surface Area: 107.000 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 134.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

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