GRADE & PURITY ≥96%

Synonyms

A20920 | EN300-3270155 | FT-0644546 | AS-3104 | 2-acetylaminophenylboronic acid pinacol ester | 2-acetylaminophenylboronic acid, pinacol ester | N-[2-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetamide | AKOS015960192 | 2-(4,4,5,5-Tetramethyl-1,3,2-diox

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

A20920 | EN300-3270155 | FT-0644546 | AS-3104 | 2-acetylaminophenylboronic acid pinacol ester | 2-acetylaminophenylboronic acid, pinacol ester | N-[2-(tetramethyl-1, 3, 2-dioxaborolan-2-yl)phenyl]acetamide | AKOS015960192 | 2-(4, 4, 5, 5-Tetramethyl-1, 3, 2-diox

Especificaciones y pureza

≥96%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥96%

Nombres e identificadores

• Sonrisas canónicas: B1(OC(C(O1)(C)C)(C)C)C2=CC=CC=C2NC(=O)C
• IUPAC Name: N-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetamide
• InChIKey: FTLANOKZIXLBML-UHFFFAOYSA-N
• INCHI: 1S/C14H20BNO3/c1-10(17)16-12-9-7-6-8-11(12)15-18-13(2,3)14(4,5)19-15/h6-9H,1-5H3,(H,16,17)
• Isómeros SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC=CC=C2NC(=O)C
• WGK Alemania: 3
• Peso molecular: 261.12
• Reaxy-Rn: 10259971
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=10259971&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Anilides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Anilides
• Intermediate Tree Nodes: Not available
• Direct Parent: Acetanilides
• Alternative Parents: N-acetylarylamines Dioxaborolanes Boronic acid esters Acetamides Secondary carboxylic acid amides Oxacyclic compounds Organic metalloid salts Organopnictogen compounds Organometalloid compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Acetanilide - N-acetylarylamine - N-arylamide - Boronic acid ester - 1,3,2-dioxaborolane - Acetamide - Boronic acid derivative - Carboxamide group - Secondary carboxylic acid amide - Organoheterocyclic compound - Carboxylic acid derivative - Organic metalloid salt - Oxacycle - Organic oxide - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organic metalloid moeity - Organopnictogen compound - Carbonyl group - Organic oxygen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as acetanilides. These are organic compounds containing an acetamide group conjugated to a phenyl 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: 261.130 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 261.154 Da
• Monoisotopic Mass: 261.154 Da
• Topological Polar Surface Area: 47.600 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 341.000
• 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

XLogP3