(5-Trimethylsilanylethynyl-pyridin-2-yl)-carbamic acid tert-butyl ester - ≥95% , CAS No.470463-41-3

CAS: 470463-41-3 Cat. No.: T170485 Peso molecular: 290.43 PubChem CID: 17998779

GRADE & PURITY ≥95%

Synonyms

tert-butyl(5-((trimethylsilyl)ethynyl)pyridin-2-yl)carbamate | A872219 | tert-butyl (5-((trimethylsilyl)ethynyl)pyridin-2-yl)carbamate | (5-Trimethylsilanylethynyl-pyridin-2-yl)-carbamic acid tert-butyl ester | (5-Trimethylsilanylethynyl-pyridin-2-yl)-car

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

tert-butyl(5-((trimethylsilyl)ethynyl)pyridin-2-yl)carbamate | A872219 | tert-butyl (5-((trimethylsilyl)ethynyl)pyridin-2-yl)carbamate | (5-Trimethylsilanylethynyl-pyridin-2-yl)-carbamic acid tert-butyl ester | (5-Trimethylsilanylethynyl-pyridin-2-yl)-car

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥95%

Nombres e identificadores

• Sonrisas canónicas: CC(C)(C)OC(=O)NC1=NC=C(C=C1)C#C[Si](C)(C)C
• IUPAC Name: tert-butyl N-[5-(2-trimethylsilylethynyl)pyridin-2-yl]carbamate
• InChIKey: YGCSGXBHBYIJFY-UHFFFAOYSA-N
• INCHI: 1S/C15H22N2O2Si/c1-15(2,3)19-14(18)17-13-8-7-12(11-16-13)9-10-20(4,5)6/h7-8,11H,1-6H3,(H,16,17,18)
• Isómeros SMILES: CC(C)(C)OC(=O)NC1=NC=C(C=C1)C#C[Si](C)(C)C
• WGK Alemania: 3
• PubChem CID: 17998779
• Peso molecular: 290.43

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Pyridines and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Pyridines and derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridines and derivatives
• Alternative Parents: Imidolactams Heteroaromatic compounds Carbamate esters Trialkylsilanes Organic metalloid salts Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyridine - Imidolactam - Carbamic acid ester - Heteroaromatic compound - Trialkylsilane - Azacycle - Organic metalloid salt - Organic oxide - Organosilicon compound - Alkylsilane - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organic metalloid moeity - Carbonyl group - Hydrocarbon derivative - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as pyridines and derivatives. These are compounds containing a pyridine ring, which is a six-member aromatic heterocycle which consists of one nitrogen atom and five carbon atoms.
• 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: 290.430 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 290.145 Da
• Monoisotopic Mass: 290.145 Da
• Topological Polar Surface Area: 51.200 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 409.000
• 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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