N,N-Diethylisonicotinamide - ≥99%(HPLC)(T) , CAS No.530-40-5

CAS: 530-40-5 Cat. No.: N159637 Formula: C₁₀H₁₄N₂O Peso molecolare: 178.24 Numero EC: 803-806-8

QUALITÀ & PUREZZA ≥99%(HPLC)(T)

Synonyms

SY052414 | AS-58827 | Isonicotinamide,N-diethyl- | NSC-165783 | Q27286408 | FT-0734824 | 4-Pyridinecarboxamide,N-diethyl- | 4-Pyridinecarboxamide, N,N-diethyl- | CDQAJSRQKGFYDY-UHFFFAOYSA-N | NSC 165783 | AKOS008929940 | SCHEMBL5710878 | BRN 0133559 | N,N

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifiche

Sinonimi

SY052414 | AS-58827 | Isonicotinamide,N-diethyl- | NSC-165783 | Q27286408 | FT-0734824 | 4-Pyridinecarboxamide,N-diethyl- | 4-Pyridinecarboxamide, N,N-diethyl- | CDQAJSRQKGFYDY-UHFFFAOYSA-N | NSC 165783 | AKOS008929940 | SCHEMBL5710878 | BRN 0133559 | N,N

Specifiche e purezza

≥99%(HPLC)(T)

Condizioni di conservazione di stoccaggio

Argon charged,Room temperature

Spedito in

Normal

Purezza

≥99%(HPLC)(T)

Nomi e identificatori

Pubchem Sid

488181176

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488181176

Sorrisi canonici

CCN(CC)C(=O)C1=CC=NC=C1

IUPAC Name

N,N-diethylpyridine-4-carboxamide

InChIKey

CDQAJSRQKGFYDY-UHFFFAOYSA-N

INCHI

1S/C10H14N2O/c1-3-12(4-2)10(13)9-5-7-11-8-6-9/h5-8H,3-4H2,1-2H3

Isomeri SMILES

CCN(CC)C(=O)C1=CC=NC=C1

RTECS

NR9810000

Peso molecolare

178.24

Reaxy-Rn

133559

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=133559&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: Pyridinecarboxamides
• 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: Pyridinecarboxamide - 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 pyridinecarboxamides. These are compounds containing a pyridine ring bearing a carboxamide.
• 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
• Indice di rifrazione: 1.52
• Punto di infiammabilità (°C): 142 °C
• Punto di ebollizione (°C): 120 °C
• Peso molecolare: 178.230 g/mol
• XLogP3: 1.000
• 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: 160.000
• 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