(6-(1,4-Dioxa-8-azaspiro[4.5]decan-8-yl)pyridin-3-yl)boronic acid - ≥95% , CAS No.928160-90-1

CAS: 928160-90-1 Cat. No.: D1342776 Molecular Weight: 264.09 PubChem CID: 53249900

GRADE & PURITY ≥95%

Storage

Room temperature

Specifications

Specifications & Purity

≥95%

Storage

Room temperature

Purity

≥95%

Names and Identifiers

• Canonical Smiles: B(C1=CN=C(C=C1)N2CCC3(CC2)OCCO3)(O)O
• IUPAC Name: [6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridin-3-yl]boronic acid
• InChIKey: HZXCCOZZCLLKTG-UHFFFAOYSA-N
• INCHI: 1S/C12H17BN2O4/c16-13(17)10-1-2-11(14-9-10)15-5-3-12(4-6-15)18-7-8-19-12/h1-2,9,16-17H,3-8H2
• Isomeric SMILES: B(C1=CN=C(C=C1)N2CCC3(CC2)OCCO3)(O)O
• PubChem CID: 53249900
• Molecular Weight: 264.09

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Azaspirodecane derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Azaspirodecane derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Azaspirodecane derivatives
• Alternative Parents: Dialkylarylamines Ketals Aminopyridines and derivatives Piperidines Imidolactams Heteroaromatic compounds 1,3-dioxolanes Boronic acids Oxacyclic compounds Organic metalloid salts Azacyclic compounds Organopnictogen compounds Organometalloid compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Azaspirodecane - Dialkylarylamine - Aminopyridine - Ketal - Piperidine - Pyridine - Imidolactam - Meta-dioxolane - Heteroaromatic compound - Boronic acid derivative - Boronic acid - Oxacycle - Acetal - Azacycle - Organic metalloid salt - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic metalloid moeity - Organic nitrogen compound - Organopnictogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as azaspirodecane derivatives. These are organic compounds containing a spirodecane moiety with at least one nitrogen atom.
• 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

Chemical and Physical Properties

• Molecular Weight: 264.090 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 264.128 Da
• Monoisotopic Mass: 264.128 Da
• Topological Polar Surface Area: 75.100 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 302.000
• 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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