N-Ethylnicotinamide - ≥98%(GC) , CAS No.4314-66-3

CAS: 4314-66-3 Cat. No.: N159628 Formula: C₈H₁₀N₂O Peso molecolare: 150.18 Numero EC: 224-331-7

GRADE & PURITY ≥98%(GC)

Synonyms

ETHYLNICOTINAMIDE, N- | E0150 | 5-22-02-00083 (Beilstein Handbook Reference) | DTXSID10195719 | N-ethyl nicotinamide | A872748 | FT-0635220 | D82018 | AKOS003865635 | BS-17256 | 1G18T31MNW | SCHEMBL353230 | NSC 62008 | Oprea1_347767 | SB76319 | UNII-1G18T

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Sinonimi

ETHYLNICOTINAMIDE, N- | E0150 | 5-22-02-00083 (Beilstein Handbook Reference) | DTXSID10195719 | N-ethyl nicotinamide | A872748 | FT-0635220 | D82018 | AKOS003865635 | BS-17256 | 1G18T31MNW | SCHEMBL353230 | NSC 62008 | Oprea1_347767 | SB76319 | UNII-1G18T

Specifiche e purezza

≥98%(GC)

Condizioni di conservazione di stoccaggio

Argon charged,Room temperature

Spedito in

Normal

Purezza

≥98%(GC)

Nomi e identificatori

Pubchem Sid

488185494

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488185494

Sorrisi canonici

CCNC(=O)C1=CN=CC=C1

IUPAC Name

N-ethylpyridine-3-carboxamide

InChIKey

ZXOAHASJYIUCBG-UHFFFAOYSA-N

INCHI

1S/C8H10N2O/c1-2-10-8(11)7-4-3-5-9-6-7/h3-6H,2H2,1H3,(H,10,11)

Isomeri SMILES

CCNC(=O)C1=CN=CC=C1

RTECS

QS4471500

Peso molecolare

150.18

Reaxy-Rn

122945

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=122945&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: Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Nicotinamide - Heteroaromatic compound - Secondary 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

Proprietà chimiche e fisiche

• Sensibilità: Air Sensitive
• Punto di fusione (°C): 50 °C
• Peso molecolare: 150.180 g/mol
• XLogP3: 0.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 150.079 Da
• Monoisotopic Mass: 150.079 Da
• Topological Polar Surface Area: 42.000 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 136.000
• 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