Potassium trifluoro[3-(morpholin-4-yl)prop-1-en-2-yl]boranuide - ≥95%, Stabilized with TBC , CAS No.1357559-50-2

CAS: 1357559-50-2 Cat. No.: P966421 Molecular Weight: 233.080 EC Number: 856-379-5

GRADE & PURITY ≥95%, Stabilized with TBC

Storage

Room temperature

Specifications

Specifications & Purity

≥95%, Stabilized with TBC

Storage

Room temperature

Purity

≥95%

Names and Identifiers

• Canonical Smiles: [B-](C(=C)CN1CCOCC1)(F)(F)F.[K+]
• IUPAC Name: potassium;trifluoro(3-morpholin-4-ylprop-1-en-2-yl)boranuide
• InChIKey: XJGYOTCKSKYYJM-UHFFFAOYSA-N
• INCHI: 1S/C7H12BF3NO.K/c1-7(8(9,10)11)6-12-2-4-13-5-3-12;/h1-6H2;/q-1;+1
• Molecular Weight: 233.080

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Oxazinanes
      • Subclass Morpholines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Oxazinanes
• Subclass: Morpholines
• Intermediate Tree Nodes: Not available
• Direct Parent: Morpholines
• Alternative Parents: Trialkylamines Boronic acid derivatives Oxacyclic compounds Organic metalloid salts Organic metal halides Dialkyl ethers Azacyclic compounds Organometalloid compounds Organic potassium salts Hydrocarbon derivatives Organic cations
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Morpholine - Boronic acid derivative - Tertiary amine - Tertiary aliphatic amine - Dialkyl ether - Ether - Organic metal halide - Organic metalloid salt - Organic alkali metal salt - Azacycle - Oxacycle - Hydrocarbon derivative - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organic salt - Organic potassium salt - Amine - Organic oxygen compound - Organic metalloid moeity - Organic cation - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as morpholines. These are organic compounds containing a morpholine moiety, which consists of a six-member aliphatic saturated ring with the formula C4H9NO, where the oxygen and nitrogen atoms lie at positions 1 and 4, respectively.
• 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: 233.080 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 233.06 Da
• Monoisotopic Mass: 233.06 Da
• Topological Polar Surface Area: 12.500 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 194.000
• 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