N-(2-Hydroxyethyl)nicotinamide - ≥95% , CAS No.6265-73-2

CAS: 6265-73-2 Cat. No.: N194269 Fórmula: C₈H₁₀N₂O₂ Peso molecular: 166.18 Número EC: 811-328-6

GRADE & PURITY ≥95%

Synonyms

n-Hexyl ethanoate | Dodecyl 2-methyl-2-propenoate | Gettysolve-C | FS-3101 | NSC33142 | NSC-33142 | Oprea1_336986 | A868410 | NICOTINAMIDE, N-(2-HYDROXYETHYL)- | Z31725207 | N-(2-Hydroxyethyl)nicotinamide | n-(2-hydroxy-ethyl)-nicotinamide | N-(2-hydroxye

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

n-Hexyl ethanoate | Dodecyl 2-methyl-2-propenoate | Gettysolve-C | FS-3101 | NSC33142 | NSC-33142 | Oprea1_336986 | A868410 | NICOTINAMIDE, N-(2-HYDROXYETHYL)- | Z31725207 | N-(2-Hydroxyethyl)nicotinamide | n-(2-hydroxy-ethyl)-nicotinamide | N-(2-hydroxye

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥95%

Nombres e identificadores

Pubchem Sid

528765786

Sonrisas canónicas

C1=CC(=CN=C1)C(=O)NCCO

IUPAC Name

N-(2-hydroxyethyl)pyridine-3-carboxamide

InChIKey

SJZLOWYUGKIWAK-UHFFFAOYSA-N

INCHI

1S/C8H10N2O2/c11-5-4-10-8(12)7-2-1-3-9-6-7/h1-3,6,11H,4-5H2,(H,10,12)

Isómeros SMILES

C1=CC(=CN=C1)C(=O)NCCO

Peso molecular

166.18

Reaxy-Rn

132556

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=132556&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Pyridines and derivatives
• Subclass: Pyridinecarboxylic acids and derivatives
• Intermediate Tree Nodes: Pyridinecarboxamides
• Direct Parent: Nicotinamides
• Alternative Parents: N-acylethanolamines Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Primary alcohols Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Nicotinamide - N-acylethanolamine - Heteroaromatic compound - Carboxamide group - Secondary carboxylic acid amide - Alkanolamine - Carboxylic acid derivative - Azacycle - Alcohol - Primary alcohol - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
• Descripción: 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

Mecanismos de acción

Propiedades químicas y físicas

• Peso molecular: 166.180 g/mol
• XLogP3: -0.100
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 166.074 Da
• Monoisotopic Mass: 166.074 Da
• Topological Polar Surface Area: 62.200 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 150.000
• 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