3-(N-Methylaminocarbonyl)phenylboronic acid, pinacol ester - ≥98% , CAS No.1197171-76-8

CAS: 1197171-76-8 Cat. No.: N180031 Peso molecular: 261.1

GRADE & PURITY ≥98%

Synonyms

3-(N-Methylaminocarbonyl)phenylboronic acid, pinacol ester | Benzamide, N-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)- | EN300-7370184 | N-Methyl-3-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)benzamide | SY006670 | 1197171-76-8 | SB17894 | N-

Storage

Protected from light,Room temperature

Shipped In

Normal

Specifications

Sinónimos

3-(N-Methylaminocarbonyl)phenylboronic acid, pinacol ester | Benzamide, N-methyl-3-(4, 4, 5, 5-tetramethyl-1, 3, 2-dioxaborolan-2-yl)- | EN300-7370184 | N-Methyl-3-(4, 4, 5, 5-tetramethyl-[1, 3, 2]dioxaborolan-2-yl)benzamide | SY006670 | 1197171-76-8 | SB17894 | N-

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Protected from light, Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488201549
• Sonrisas canónicas: B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)C(=O)NC
• IUPAC Name: N-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
• InChIKey: YKVCWFPOJAXHGE-UHFFFAOYSA-N
• INCHI: 1S/C14H20BNO3/c1-13(2)14(3,4)19-15(18-13)11-8-6-7-10(9-11)12(17)16-5/h6-9H,1-5H3,(H,16,17)
• Isómeros SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)C(=O)NC
• Peso molecular: 261.1
• Reaxy-Rn: 21896716
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=21896716&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzamides
• Alternative Parents: Benzoyl derivatives Dioxaborolanes Boronic acid esters Secondary carboxylic acid amides Oxacyclic compounds Organic metalloid salts Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organometalloid compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Benzamide - Benzoyl - Boronic acid ester - 1,3,2-dioxaborolane - Boronic acid derivative - Carboxamide group - Secondary carboxylic acid amide - Oxacycle - Organic metalloid salt - Organoheterocyclic compound - Carboxylic acid derivative - Organic nitrogen compound - Organic metalloid moeity - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzamides. These are organic compounds containing a carboxamido substituent attached to a benzene ring.
• 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

• Sensibilidad: light sensitive
• 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

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