Potassium (1-boc-4-piperidinyloxy)methyltrifluoroborate - ≥97% , CAS No.1364936-24-2

CAS: 1364936-24-2 Cat. No.: P1009641 Molecular Weight: 321.18 PubChem CID: 49761725

GRADE & PURITY ≥97%

Storage

Room temperature

Specifications

Specifications & Purity

≥97%

Storage

Room temperature

Purity

≥97%

Names and Identifiers

• Canonical Smiles: [B-](COC1CCN(CC1)C(=O)OC(C)(C)C)(F)(F)F.[K+]
• IUPAC Name: potassium;trifluoro-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxymethyl]boranuide
• InChIKey: ACRQMPLRTDEQAH-UHFFFAOYSA-N
• INCHI: 1S/C11H20BF3NO3.K/c1-11(2,3)19-10(17)16-6-4-9(5-7-16)18-8-12(13,14)15;/h9H,4-8H2,1-3H3;/q-1;+1
• Isomeric SMILES: [B-](COC1CCN(CC1)C(=O)OC(C)(C)C)(F)(F)F.[K+]
• PubChem CID: 49761725
• Molecular Weight: 321.18

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Piperidines
      • Subclass Piperidinecarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Piperidines
• Subclass: Piperidinecarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Piperidinecarboxylic acids
• Alternative Parents: Carbamate esters Tertiary amines Boronic acid derivatives Alkylhaloboranes Organic metalloid salts Organic metal halides Dialkyl ethers Azacyclic compounds Organic potassium salts Organic oxides Monoalkylboranes Hydrocarbon derivatives Carbonyl compounds Organic cations
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Piperidinecarboxylic acid - Carbamic acid ester - Boronic acid derivative - Alkylhaloborane - Tertiary amine - Dialkyl ether - Ether - Organic metal halide - Azacycle - Organic alkali metal salt - Organic metalloid salt - Amine - Organic nitrogen compound - Organic potassium salt - Organic salt - Hydrocarbon derivative - Organic oxide - Alkylborane - Organooxygen compound - Organonitrogen compound - Organic metalloid moeity - Monoalkylborane - Organic oxygen compound - Carbonyl group - Organic cation - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as piperidinecarboxylic acids. These are compounds containing a piperidine ring which bears a carboxylic acid group.
• 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: 321.190 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 4
• Exact Mass: 321.113 Da
• Monoisotopic Mass: 321.113 Da
• Topological Polar Surface Area: 38.800 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 315.000
• 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: 2

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