2-Cyclohexyl-1,3,6,2-dioxazaborocane - ≥95% , CAS No.122035-40-9

CAS: 122035-40-9 Cat. No.: C1042977 Summenformel: C₁₀H₂₀BNO₂ Molekulargewicht: 197.09 PubChem CID: 13926504

GRADE & PURITY ≥95%

Storage

Room temperature

Specifications

Spezifikationen & Reinheit

≥95%

Storage

Room temperature

Reinheit

≥95%

Namen und Kennungen

Kanonisches Lächeln

B1(OCCNCCO1)C2CCCCC2

IUPAC Name

2-cyclohexyl-1,3,6,2-dioxazaborocane

InChIKey

ZEWXJJCKWJZWQY-UHFFFAOYSA-N

INCHI

1S/C10H20BNO2/c1-2-4-10(5-3-1)11-13-8-6-12-7-9-14-11/h10,12H,1-9H2

Isomere SMILES

B1(OCCNCCO1)C2CCCCC2

PubChem CID

13926504

Molekulargewicht

197.09

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Klasse Boronic acid derivatives
      • Subclass Boronic acid esters

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Klasse: Boronic acid derivatives
• Subclass: Boronic acid esters
• Intermediate Tree Nodes: Not available
• Direct Parent: Boronic acid esters
• Alternative Parents: Oxacyclic compounds Organic metalloid salts Dialkylamines Azacyclic compounds Organooxygen compounds Monoalkylboranes Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Boronic acid ester - Secondary aliphatic amine - Secondary amine - Organoheterocyclic compound - Organic metalloid salt - Oxacycle - Azacycle - Amine - Hydrocarbon derivative - Alkylborane - Monoalkylborane - Organooxygen compound - Organonitrogen compound - Organic metalloid moeity - Organic oxygen compound - Organic nitrogen compound - Aliphatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as boronic acid esters. These are compounds comprising the boronic acid ester functional group RN(X)OR' (R,R'=alkyl, aryl; X= any O, N, Hal residue).
• 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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 197.080 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 197.159 Da
• Monoisotopic Mass: 197.159 Da
• Topological Polar Surface Area: 30.500 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 154.000
• 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

Häufig gestellte Fragen

What is the purity of this product?

This product is supplied at ≥95% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

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

The CAS Number is 122035-40-9, the molecular formula is C10H20BNO2, and the molecular weight is 197.09 g/mol. InChIKey ZEWXJJCKWJZWQY-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.