4-Pyridineboronic acid MIDA ester - ≥98% , CAS No.1104636-72-7

CAS: 1104636-72-7 Cat. No.: P768945 Fórmula: C₁₀H₁₁BN₂O₄ Peso molecular: 234.02 PubChem CID: 71310573

GRADE & PURITY ≥98%

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Especificações e pureza

≥98%

Condições de armazenamento de armazenamento

Store at 2-8°C

Enviado em

Wet ice

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥98%

Nomes e identificadores

Sorrisos canónicos

B1(OC(=O)CN(CC(=O)O1)C)C2=CC=NC=C2

IUPAC Name

6-methyl-2-pyridin-4-yl-1,3,6,2-dioxazaborocane-4,8-dione

InChIKey

FVUPUWZQLRQASU-UHFFFAOYSA-N

INCHI

1S/C10H11BN2O4/c1-13-6-9(14)16-11(17-10(15)7-13)8-2-4-12-5-3-8/h2-5H,6-7H2,1H3

SMILES isoméricas

B1(OC(=O)CN(CC(=O)O1)C)C2=CC=NC=C2

WGK Alemanha

3

PubChem CID

71310573

Peso molecular

234.02

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives
• Direct Parent: Alpha amino acids and derivatives
• Alternative Parents: Pyridines and derivatives Dicarboxylic acids and derivatives Heteroaromatic compounds Trialkylamines Boronic acid derivatives Oxacyclic compounds Organic metalloid salts Azacyclic compounds Organometalloid compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Alpha-amino acid or derivatives - Dicarboxylic acid or derivatives - Pyridine - Heteroaromatic compound - Boronic acid derivative - Tertiary amine - Tertiary aliphatic amine - Organic metalloid salt - Organoheterocyclic compound - Azacycle - Oxacycle - Amine - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic metalloid moeity - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.
• 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

Propriedades químicas e físicas

• Peso molecular: 234.020 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 234.081 Da
• Monoisotopic Mass: 234.081 Da
• Topological Polar Surface Area: 68.700 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 287.000
• 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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