N-(5-Hydroxymethyl-pyridin-2-yl)-2,2-dimethyl-propionamide - ≥95% , CAS No.882016-49-1

CAS: 882016-49-1 Cat. No.: N187592 Peso molecular: 208.3

GRADE & PURITY ≥95%

Synonyms

N-(5-Hydroxymethyl-pyridin-2-yl)-2,2-dimethyl-propionamide, AldrichCPR | DTXSID60640087 | SCHEMBL3923056 | FT-0678302 | N-[5-(hydroxymethyl)pyridin-2-yl]-2,2-dimethylpropanamide | AKOS015856503 | N-(5-(HYDROXYMETHYL)PYRIDIN-2-YL)PIVALAMIDE | ALJCDLWGLGUXG

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

N-(5-Hydroxymethyl-pyridin-2-yl)-2, 2-dimethyl-propionamide, AldrichCPR | DTXSID60640087 | SCHEMBL3923056 | FT-0678302 | N-[5-(hydroxymethyl)pyridin-2-yl]-2, 2-dimethylpropanamide | AKOS015856503 | N-(5-(HYDROXYMETHYL)PYRIDIN-2-YL)PIVALAMIDE | ALJCDLWGLGUXG

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥95%

Nombres e identificadores

• Sonrisas canónicas: CC(C)(C)C(=O)NC1=NC=C(C=C1)CO
• IUPAC Name: N-[5-(hydroxymethyl)pyridin-2-yl]-2,2-dimethylpropanamide
• InChIKey: ALJCDLWGLGUXGZ-UHFFFAOYSA-N
• INCHI: 1S/C11H16N2O2/c1-11(2,3)10(15)13-9-5-4-8(7-14)6-12-9/h4-6,14H,7H2,1-3H3,(H,12,13,15)
• Isómeros SMILES: CC(C)(C)C(=O)NC1=NC=C(C=C1)CO
• Peso molecular: 208.3
• Reaxy-Rn: 14526750
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14526750&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Clase Organonitrogen compounds
      • Subclass N-arylamides

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Clase: Organonitrogen compounds
• Subclass: N-arylamides
• Intermediate Tree Nodes: Not available
• Direct Parent: N-arylamides
• Alternative Parents: Pyridines and derivatives Imidolactams Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Primary alcohols Organic oxides Hydrocarbon derivatives Carbonyl compounds Aromatic alcohols
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: N-arylamide - Pyridine - Imidolactam - Heteroaromatic compound - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxide - Primary alcohol - Organooxygen compound - Alcohol - Organic oxygen compound - Aromatic alcohol - Carbonyl group - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as n-arylamides. These are organic compounds that contain a carboxamide group that is N-linked to a aryl group. They have the generic structure RC(=O)N(R')H, R = organyl group and R'= aryl 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

Propiedades químicas y físicas

• Peso molecular: 208.260 g/mol
• XLogP3: 0.900
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 208.121 Da
• Monoisotopic Mass: 208.121 Da
• Topological Polar Surface Area: 62.200 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 223.000
• 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