Potassium ((cyclopentylamino)methyl)trifluoroborate - ≥95% , CAS No.1705578-40-0

CAS: 1705578-40-0 Cat. No.: P987640 Molecular Weight: 205.070

GRADE & PURITY ≥95%

Storage

Room temperature

Specifications

Specifications & Purity

≥95%

Storage

Room temperature

Purity

≥95%

Names and Identifiers

• Canonical Smiles: [B-](CNC1CCCC1)(F)(F)F.[K+]
• IUPAC Name: potassium;(cyclopentylamino)methyl-trifluoroboranuide
• InChIKey: QTMDSECEDKBFNT-UHFFFAOYSA-N
• INCHI: 1S/C6H12BF3N.K/c8-7(9,10)5-11-6-3-1-2-4-6;/h6,11H,1-5H2;/q-1;+1
• Molecular Weight: 205.070

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Boronic acid derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Boronic acid derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Boronic acid derivatives
• Alternative Parents: Alkylhaloboranes Organic metalloid salts Organic metal halides Dialkylamines Organic potassium salts Monoalkylboranes Hydrocarbon derivatives Organic cations
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Boronic acid derivative - Alkylhaloborane - Secondary aliphatic amine - Secondary amine - Organic metal halide - Organic metalloid salt - Organic alkali metal salt - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organic potassium salt - Organic salt - Alkylborane - Organonitrogen compound - Organic metalloid moeity - Monoalkylborane - Organic cation - Aliphatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as boronic acid derivatives. These are compounds comprising any derivative of the boronic acid functional group, with the general structure RB(X)Y (R=alkyl, aryl; X,Y= 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

Chemical and Physical Properties

• Molecular Weight: 205.070 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 205.065 Da
• Monoisotopic Mass: 205.065 Da
• Topological Polar Surface Area: 12.000 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 124.000
• 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

XLogP3