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 Summenformel: C₆D₄HNO₂ Molekulargewicht: 127.13 EG-Nummer: 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

Übersicht

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

Synonyme

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

Spezifikationen & Reinheit

≥98 atom% D,≥98%

Anmeldung

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

Storage

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

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥98 atom% D,≥98%

Namen und Kennungen

• Kanonisches Lächeln: 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
• Isomere SMILES: [2H]C1=C(C(=C(N=C1[2H])[2H])C(=O)O)[2H]
• WGK Deutschland: 1
• Alternative CAS-Nummer: 59-67-6（unlabelled）
• Molekulargewicht: 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
    • Klasse Pyridines and derivatives
      • Subclass Pyridinecarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: 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
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Empfindlichkeit: light sensitive; air sensitive; Hygroscopic
• Flammpunkt (°F): 379.4 °F
• Flammpunkt (°C): 193 °C
• Molekulargewicht: 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