N-(2-Bromo-5-((tert-butyldimethylsilyloxy)methyl)-pyridin-3-yl)pivalamide - ≥95% , CAS No.1171919-94-0

CAS: 1171919-94-0 Cat. No.: N179813 Peso molecular: 401.4 PubChem CID: 46737845

GRADE & PURITY ≥95%

Synonyms

AKOS015835819 | N-[2-bromo-5-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridin-3-yl]-2,2-dimethylpropanamide | N-[2-Bromo-5-[[[(1,1-dimethylethyl)dimethylsilyl]oxy]methyl]-3-pyridinyl]-2,2-dimethylpropanamide | N-(2-Bromo-5-(((tert-butyldimethylsilyl)oxy)meth

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

AKOS015835819 | N-[2-bromo-5-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridin-3-yl]-2, 2-dimethylpropanamide | N-[2-Bromo-5-[[[(1, 1-dimethylethyl)dimethylsilyl]oxy]methyl]-3-pyridinyl]-2, 2-dimethylpropanamide | N-(2-Bromo-5-(((tert-butyldimethylsilyl)oxy)meth

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=C(N=CC(=C1)CO[Si](C)(C)C(C)(C)C)Br
• IUPAC Name: N-[2-bromo-5-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridin-3-yl]-2,2-dimethylpropanamide
• InChIKey: JWXIXHCQKKRIAJ-UHFFFAOYSA-N
• INCHI: 1S/C17H29BrN2O2Si/c1-16(2,3)15(21)20-13-9-12(10-19-14(13)18)11-22-23(7,8)17(4,5)6/h9-10H,11H2,1-8H3,(H,20,21)
• Isómeros SMILES: CC(C)(C)C(=O)NC1=C(N=CC(=C1)CO[Si](C)(C)C(C)(C)C)Br
• PubChem CID: 46737845
• Peso molecular: 401.4

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: 2-halopyridines Aryl bromides Trialkylheterosilanes Heteroaromatic compounds Silyl ethers Secondary carboxylic acid amides Organic metalloid salts Azacyclic compounds Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: N-arylamide - 2-halopyridine - Aryl bromide - Aryl halide - Pyridine - Trialkylheterosilane - Heteroaromatic compound - Carboxamide group - Silyl ether - Secondary carboxylic acid amide - Organoheterosilane - Azacycle - Organic metalloid salt - Organoheterocyclic compound - Carboxylic acid derivative - Organic oxygen compound - Organooxygen compound - Organobromide - Organic metalloid moeity - Organohalogen compound - Organosilicon compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - 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: 401.400 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 400.118 Da
• Monoisotopic Mass: 400.118 Da
• Topological Polar Surface Area: 51.200 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 416.000
• 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

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