N-[3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acrylamide - ≥97% , CAS No.874363-18-5

CAS: 874363-18-5 Cat. No.: N405091 Peso molecular: 273.14

GRADE & PURITY ≥97%

Synonyms

3-Acrylamidophenylboronic Acid Pinacol Ester | 2-(3-Acrylamidophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Storage

Room temperature

Specifications

Sinónimos

3-Acrylamidophenylboronic Acid Pinacol Ester | 2-(3-Acrylamidophenyl)-4, 4, 5, 5-tetramethyl-1, 3, 2-dioxaborolane

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 488202347
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488202347
• Sonrisas canónicas: B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)NC(=O)C=C
• IUPAC Name: N-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]prop-2-enamide
• InChIKey: WKGCJEIDCOQEPG-UHFFFAOYSA-N
• INCHI: 1S/C15H20BNO3/c1-6-13(18)17-12-9-7-8-11(10-12)16-19-14(2,3)15(4,5)20-16/h6-10H,1H2,2-5H3,(H,17,18)
• Isómeros SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)NC(=O)C=C
• Peso molecular: 273.14
• Reaxy-Rn: 22772142
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=22772142&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: Anilides
• Alternative Parents: N-arylamides Dioxaborolanes Boronic acid esters Acrylic acids and derivatives Secondary carboxylic acid amides Oxacyclic compounds Organic metalloid salts Organometalloid compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Anilide - N-arylamide - Boronic acid ester - Acrylic acid or derivatives - 1,3,2-dioxaborolane - Boronic acid derivative - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Oxacycle - Organic metalloid salt - Organoheterocyclic compound - Organonitrogen compound - Organic metalloid moeity - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - Carbonyl group - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as anilides. These are organic heterocyclic compounds derived from oxoacids RkE(=O)l(OH)m (l not 0) by replacing an OH group by the NHPh group or derivative formed by ring substitution.
• 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

• Punto de fusión (°C): 160 °C
• Peso molecular: 273.140 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 273.154 Da
• Monoisotopic Mass: 273.154 Da
• Topological Polar Surface Area: 47.600 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 379.000
• 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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