N,N-Diethylnicotinamide - ≥99% , CAS No.59-26-7

CAS: 59-26-7 Cat. No.: T136201 Formula: C₁₀H₁₄N₂O Peso molecolare: 178.23 Beilstein Registry Number: 5743 Numero EC: 200-418-5

GRADE & PURITY ≥99%

Synonyms

Coretone | Niquetamida | Stimulin | Diethyl-Nicotamide | Dietilamide-Carbopiridina | Coraethamide | Hansacor | Nicorine | NIKETHAMIDE [INN] | Stellamine | Cardiagen | Corovit | Nicotinamide, N,N-diethyl- | Niketamid | 368IVD6M32 | Coramine | Nikorin | Sal

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

Sinonimi

Coretone | Niquetamida | Stimulin | Diethyl-Nicotamide | Dietilamide-Carbopiridina | Coraethamide | Hansacor | Nicorine | NIKETHAMIDE [INN] | Stellamine | Cardiagen | Corovit | Nicotinamide, N,N-diethyl- | Niketamid | 368IVD6M32 | Coramine | Nikorin | Sal

Specifiche e purezza

≥99%

Condizioni di conservazione di stoccaggio

Room temperature,Argon charged

Spedito in

Normal

Purezza

≥99%

Proprietà del prodotto

• ALogP: 0.3

Nomi e identificatori

• Pubchem Sid: 488179905
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488179905
• Sorrisi canonici: CCN(CC)C(=O)C1=CN=CC=C1
• IUPAC Name: N,N-diethylpyridine-3-carboxamide
• InChIKey: NCYVXEGFNDZQCU-UHFFFAOYSA-N
• INCHI: 1S/C10H14N2O/c1-3-12(4-2)10(13)9-6-5-7-11-8-9/h5-8H,3-4H2,1-2H3
• Isomeri SMILES: CCN(CC)C(=O)C1=CN=CC=C1
• WGK Germania: 3
• RTECS: QS4375000
• Numero UN: 2810
• Gruppo di imballaggio: I
• Peso molecolare: 178.23
• Beilstein: 5743
• Reaxy-Rn: 5743
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5743&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Pyridines and derivatives
      • Subclass Pyridinecarboxylic acids and derivatives
        • Level5 Pyridinecarboxamides
          • Level6 Nicotinamides

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Pyridines and derivatives
• Subclass: Pyridinecarboxylic acids and derivatives
• Intermediate Tree Nodes: Pyridinecarboxamides
• Direct Parent: Nicotinamides
• Alternative Parents: Tertiary carboxylic acid amides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Nicotinamide - Heteroaromatic compound - Tertiary carboxylic acid amide - Carboxamide group - Azacycle - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteromonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as nicotinamides. These are heterocyclic aromatic compounds containing a pyridine ring substituted at position 3 by a carboxamide 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

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Meccanismi d'azione

Proprietà chimiche e fisiche

• Sensibilità: Air sensitive
• Indice di rifrazione: 1.524
• Punto di infiammabilità (°F): 235.4 °F
• Punto di infiammabilità (°C): 113 °C
• Punto di ebollizione (°C): 296-300 °C
• Punto di fusione (°C): 23°C
• Peso molecolare: 178.230 g/mol
• XLogP3: 0.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 178.111 Da
• Monoisotopic Mass: 178.111 Da
• Topological Polar Surface Area: 33.200 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 166.000
• Isotope Atom Count: 0
• 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