Nicotinic acid-(ring-d₄) - ≥98 atom% D,≥98%, used for Nicotinic acid-(ring-d4) can be used as an internal standard for the quantification of nicotinic acid in the biological sample by gas chromatography-mass spectrometry (GC-MS). It can be also used as a

CAS: 66148-15-0 Cat. No.: N464645 Fórmula: C₆D₄HNO₂ Peso molecular: 127.13 Número CE: 689-511-3

GRADE & PURITY ≥98 atom% D,≥98%

Synonyms

Nicotinic-d4 Acid | D98970 | 2,4,5,6-Tetradeuteriopyridine-3-carboxylic acid | (?H?)pyridine-3-carboxylic acid | Nicotinic Acid-d4 | Nicotinic-2,4,5,6-d4 acid | d4-nicotinic acid | SCHEMBL1817986 | Nicotinic acid-(ring-d4), >=98 atom % D, >=98% (CP) | CHE

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Visão geral

Nicotinic acid (pyridine-3-carboxylic acid) is also known as niacin or vitamin B3. It is a water-soluble vitamin found in some vegetable and animal sources. Niacin is also a precursor for the synthesis of NAD and NADP.

Specifications

Sinónimos

Nicotinic-d4 Acid | D98970 | 2,4,5,6-Tetradeuteriopyridine-3-carboxylic acid | (?H?)pyridine-3-carboxylic acid | Nicotinic Acid-d4 | Nicotinic-2,4,5,6-d4 acid | d4-nicotinic acid | SCHEMBL1817986 | Nicotinic acid-(ring-d4), >=98 atom % D, >=98% (CP) | CHE

Especificações e pureza

≥98 atom% D,≥98%

Aplicação

Nicotinic acid-(ring-d4) can be used as an internal standard for the quantification of nicotinic acid in the biological sample by gas chromatography-mass spectrometry (GC-MS). It can be also used as a precursor for the preparation of N′-nitrosonornicotine

Condições de armazenamento de armazenamento

Store at 2-8°C,Protected from light,Argon charged

Enviado em

Wet ice

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥98 atom% D,≥98%

Nomes e identificadores

• Sorrisos canónicos: C1=CC(=CN=C1)C(=O)O
• IUPAC Name: 2,4,5,6-tetradeuteriopyridine-3-carboxylic acid
• InChIKey: PVNIIMVLHYAWGP-RHQRLBAQSA-N
• INCHI: 1S/C6H5NO2/c8-6(9)5-2-1-3-7-4-5/h1-4H,(H,8,9)/i1D,2D,3D,4D
• SMILES isoméricas: [2H]C1=C(C(=C(N=C1[2H])[2H])C(=O)O)[2H]
• WGK Alemanha: 1
• CAS alternativo: 59-67-6（unlabelled）
• Peso molecular: 127.13
• Reaxy-Rn: 109591
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=109591&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Pyridines and derivatives
      • Subclass Pyridinecarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Pyridines and derivatives
• Subclass: Pyridinecarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridinecarboxylic acids
• Alternative Parents: Heteroaromatic compounds Carboxylic acids Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyridine carboxylic acid - Heteroaromatic compound - Azacycle - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteromonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as pyridinecarboxylic acids. These are compounds containing a pyridine ring bearing a carboxylic acid 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

Propriedades químicas e físicas

• Sensibilidade: light sensitive; air sensitive; Hygroscopic
• Ponto de inflamação (°F): 379.4 °F
• Ponto de inflamação (°C): 193 °C
• Peso molecular: 127.130 g/mol
• XLogP3: 0.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 127.057 Da
• Monoisotopic Mass: 127.057 Da
• Topological Polar Surface Area: 50.200 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 114.000
• 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