Acetamide-¹⁵N - ≥98 atom% 15N , CAS No.1449-72-5

CAS: 1449-72-5 Cat. No.: A471841 Formule: CH₃CO¹⁵NH₂ Poids moléculaire: 60.06 Numéro CE: 106-326-0

Storage

Room temperature

Specifications

Spécifications et pureté

≥98 atom% 15N

Conditions de stockage de stockage

Room temperature

Noms et identifiants

• Sourires canoniques: CC(=O)N
• IUPAC Name: acetamide
• InChIKey: DLFVBJFMPXGRIB-LBPDFUHNSA-N
• INCHI: 1S/C2H5NO/c1-2(3)4/h1H3,(H2,3,4)/i3+1
• Isomères SMILES: CC(=O)[15NH2]
• Numéro ONU: 3077
• Poids moléculaire: 60.06
• Reaxy-Rn: 1071207
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1071207&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe Carboxylic acids and derivatives
      • Subclass Carboxylic acid derivatives
        • Level5 Carboxylic acid amides
          • Level6 Acetamides

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Carboxylic acids and derivatives
• Subclass: Carboxylic acid derivatives
• Intermediate Tree Nodes: Carboxylic acid amides
• Direct Parent: Acetamides
• Alternative Parents: Primary carboxylic acid amides Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Acetamide - Primary carboxylic acid amide - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as acetamides. These are organic compounds with the general formula RNHC(=O)CH3, where R= organyl group.
• 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

• Point d'éclair (°F): Not applicable
• Point d'éclair (°C): Not applicable
• Point d'ébullition (°C): 221℃ (lit.)
• Point de fusion (°C): 78-80℃ (lit.)
• Poids moléculaire: 60.060 g/mol
• XLogP3: -0.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 60.0341 Da
• Monoisotopic Mass: 60.0341 Da
• Topological Polar Surface Area: 43.100 Ų
• Heavy Atom Count: 4
• Formal Charge: 0
• Complexity: 33.000
• Isotope Atom Count: 1
• 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 isotopic enrichment 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. Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

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

The CAS Number is 1449-72-5, the molecular formula is C2H5NO, and the molecular weight is 60.06 g/mol. InChIKey DLFVBJFMPXGRIB-LBPDFUHNSA-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.