Ammonium acetate-d₇ - ≥98 atom% D7 , CAS No.194787-05-8

CAS: 194787-05-8 Cat. No.: A121278 Fórmula: CD₃CO₂ND₄ Peso molecular: 84.13 Número EC: 625-146-8

Synonyms

DTXSID30679844 | HY-Y0849S1 | AKOS015911060 | Ammonium acetate-d7 | Acetate-d7 (ammonium) | Ammonium acetate-d7, 98 atom % D | D99489 | Acetic-d3 acid-d,ammonium-d4 salt(9ci) | (~2~H_4_)Acetic acid--(~2~H_3_)ammonia (1/1)

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

DTXSID30679844 | HY-Y0849S1 | AKOS015911060 | Ammonium acetate-d7 | Acetate-d7 (ammonium) | Ammonium acetate-d7, 98 atom % D | D99489 | Acetic-d3 acid-d,ammonium-d4 salt(9ci) | (~2~H_4_)Acetic acid--(~2~H_3_)ammonia (1/1)

Especificaciones y pureza

≥98 atom% D7

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Nombres e identificadores

Pubchem Sid

488201505

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488201505

Sonrisas canónicas

CC(=O)O.N

InChIKey

USFZMSVCRYTOJT-KYWLLVRESA-N

INCHI

1S/C2H4O2.H3N/c1-2(3)4;/h1H3,(H,3,4);1H3/i1D3;/hD4

Isómeros SMILES

[2H]C([2H])([2H])C(=O)O[2H].[2H]N([2H])[2H]

WGK Alemania

3

Peso molecular

84.13

Reaxy-Rn

3564799

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3564799&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase Carboxylic acids and derivatives
      • Subclass Carboxylic acid derivatives
        • Level5 Carboxylic acid salts
          • Level6 Acetate salts

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Carboxylic acids and derivatives
• Subclass: Carboxylic acid derivatives
• Intermediate Tree Nodes: Carboxylic acid salts
• Direct Parent: Acetate salts
• Alternative Parents: Monocarboxylic acids and derivatives Carboxylic acids Organic salts Organic oxides Organic nitrogen compounds Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Acetate salt - Monocarboxylic acid or derivatives - Carboxylic acid - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic salt - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as acetate salts. These are organic compounds containing acetic acid as its acid component.
• 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

• Punto de fusión (°C): 110-112°C
• Peso molecular: 84.130 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 84.0916 Da
• Monoisotopic Mass: 84.0916 Da
• Topological Polar Surface Area: 38.300 Ų
• Heavy Atom Count: 5
• Formal Charge: 0
• Complexity: 31.000
• Isotope Atom Count: 7
• 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: 2

XLogP3

Preguntas frecuentes

What is the isotopic enrichment of this product?

This product is isotopically enriched to ≥98 atom% the labelled isotope. 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 2–8 °C. Refrigerated storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

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

The CAS Number is 194787-05-8, the molecular formula is CD3CO2ND4, and the molecular weight is 84.13 g/mol. InChIKey USFZMSVCRYTOJT-KYWLLVRESA-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.