Potassium trifluoro(3-morpholino-3-oxopropyl)borate - ≥98% , CAS No.1150654-74-2

CAS: 1150654-74-2 Cat. No.: P1049046 Molecular Weight: 249.08 PubChem CID: 44222523

GRADE & PURITY ≥98%

Storage

Room temperature

Specifications

Specifications & Purity

≥98%

Storage

Room temperature

Purity

≥98%

Names and Identifiers

• Canonical Smiles: [B-](CCC(=O)N1CCOCC1)(F)(F)F.[K+]
• IUPAC Name: potassium;trifluoro-(3-morpholin-4-yl-3-oxopropyl)boranuide
• InChIKey: XRBGFSOMOUCXJJ-UHFFFAOYSA-N
• INCHI: 1S/C7H12BF3NO2.K/c9-8(10,11)2-1-7(13)12-3-5-14-6-4-12;/h1-6H2;/q-1;+1
• Isomeric SMILES: [B-](CCC(=O)N1CCOCC1)(F)(F)F.[K+]
• PubChem CID: 44222523
• Molecular Weight: 249.08

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: Tertiary carboxylic acid amides Tertiary amines Alkylhaloboranes Amino acids and derivatives Boronic acid derivatives Oxacyclic compounds Organic metalloid salts Organic metal halides Azacyclic compounds Dialkyl ethers Organic potassium salts Hydrocarbon derivatives Carbonyl compounds Monoalkylboranes Organic oxides Organic cations
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Morpholine - Tertiary carboxylic acid amide - Amino acid or derivatives - Boronic acid derivative - Carboxamide group - Alkylhaloborane - Tertiary amine - Carboxylic acid derivative - Organic metal halide - Dialkyl ether - Ether - Oxacycle - Azacycle - Organic alkali metal salt - Organic metalloid salt - Amine - Organic nitrogen compound - Organic salt - Organooxygen compound - Organonitrogen compound - Organic metalloid moeity - Organic potassium salt - Hydrocarbon derivative - Organic oxide - Alkylborane - Monoalkylborane - Carbonyl group - Organic oxygen compound - 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: 249.080 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 249.055 Da
• Monoisotopic Mass: 249.055 Da
• Topological Polar Surface Area: 29.500 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 209.000
• 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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