Cyclohexylboronic acid MIDA ester - ≥98% , CAS No.1104637-39-9

CAS: 1104637-39-9 Cat. No.: C302193 Fórmula: C₁₁H₁₈BNO₄ Peso molecular: 239.08

GRADE & PURITY ≥98%

Synonyms

1104637-39-9|Cyclohexylboronic acid MIDA ester|2-Cyclohexyl-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione|DTXSID00746350|Cyclohexylboronic acid MIDA ester, 97%

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

1104637-39-9 | Cyclohexylboronic acid MIDA ester | 2-Cyclohexyl-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione | DTXSID00746350 | Cyclohexylboronic acid MIDA ester, 97%

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

Pubchem Sid

504772055

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504772055

Sorrisos canónicos

B1(OC(=O)CN(CC(=O)O1)C)C2CCCCC2

IUPAC Name

2-cyclohexyl-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione

InChIKey

SLUNFPHQHGXTCG-UHFFFAOYSA-N

INCHI

1S/C11H18BNO4/c1-13-7-10(14)16-12(17-11(15)8-13)9-5-3-2-4-6-9/h9H,2-8H2,1H3

SMILES isoméricas

B1(OC(=O)CN(CC(=O)O1)C)C2CCCCC2

WGK Alemanha

2

Peso molecular

239.08

Reaxy-Rn

56101424

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=56101424&ln=

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: Dicarboxylic acids and derivatives Trialkylamines Boronic acid derivatives Oxacyclic compounds Organic metalloid salts Azacyclic compounds Organic oxides Monoalkylboranes Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Alpha-amino acid or derivatives - Dicarboxylic acid or derivatives - Boronic acid derivative - Tertiary amine - Tertiary aliphatic amine - Oxacycle - Azacycle - Organic metalloid salt - Organoheterocyclic compound - Hydrocarbon derivative - Amine - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organic metalloid moeity - Organic oxygen compound - Carbonyl group - Organic oxide - Alkylborane - Monoalkylborane - Aliphatic 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

• Ponto de fusão (°C): 210-215℃
• Peso molecular: 239.080 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 239.133 Da
• Monoisotopic Mass: 239.133 Da
• Topological Polar Surface Area: 55.800 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 284.000
• 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

Perguntas frequentes

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C. Refrigerated storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 1104637-39-9, the molecular formula is C11H18BNO4, and the molecular weight is 239.08 g/mol. InChIKey SLUNFPHQHGXTCG-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.