3-Aminobenzeneboronic acid pinacol ester hydrochloride - ≥98% , CAS No.850567-51-0

CAS: 850567-51-0 Cat. No.: A187008 Peso molecular: 255.55

GRADE & PURITY ≥98%

Synonyms

3-Aminobenzeneboronic acid, pinacol ester hydrochloride | 3-Aminobenzeneboronic acid, pinacol ester hydrochloride;3-Aminophenylboronic acid pinacol ester hydrochloride | A853392 | 3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)anilinehydrochloride | AB266

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

3-Aminobenzeneboronic acid, pinacol ester hydrochloride | 3-Aminobenzeneboronic acid, pinacol ester hydrochloride;3-Aminophenylboronic acid pinacol ester hydrochloride | A853392 | 3-(4, 4, 5, 5-Tetramethyl-1, 3, 2-dioxaborolan-2-yl)anilinehydrochloride | AB266

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Argon charged

Enviado en

Wet ice

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

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)N.Cl
• IUPAC Name: 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;hydrochloride
• InChIKey: JKYHLNAXOSAGCE-UHFFFAOYSA-N
• INCHI: 1S/C12H18BNO2.ClH/c1-11(2)12(3,4)16-13(15-11)9-6-5-7-10(14)8-9;/h5-8H,14H2,1-4H3;1H
• Isómeros SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)N.Cl
• Peso molecular: 255.55

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Aniline and substituted anilines
• Intermediate Tree Nodes: Not available
• Direct Parent: Aniline and substituted anilines
• Alternative Parents: Dioxaborolanes Boronic acid esters Oxacyclic compounds Organic metalloid salts Primary amines Organooxygen compounds Organometalloid compounds Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Aniline or substituted anilines - Boronic acid ester - 1,3,2-dioxaborolane - Boronic acid derivative - Organoheterocyclic compound - Oxacycle - Organic metalloid salt - Amine - Primary amine - Organooxygen compound - Organonitrogen compound - Organic metalloid moeity - Hydrocarbon derivative - Organic oxygen compound - Hydrochloride - Organic nitrogen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as aniline and substituted anilines. These are organic compounds containing an aminobenzene moiety.
• 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: 255.550 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 255.12 Da
• Monoisotopic Mass: 255.12 Da
• Topological Polar Surface Area: 44.500 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 252.000
• 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: 2

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