Potassium 4-((morpholino)methyl) phenyltrifluoroborate - ≥96% , CAS No.1190095-06-7

CAS: 1190095-06-7 Cat. No.: P179997 Molecular Weight: 283.1 EC Number: 806-581-4 PubChem CID: 44470411

GRADE & PURITY ≥96%

Synonyms

AKOS016339757 | Potassium trifluoro(4-(morpholinomethyl)phenyl)borate | Potassium4-((morpholino)methyl)-phenyltrifluoroborate | 1190095-06-7 | F87037 | potassium trifluoro({4-[(morpholin-4-yl)methyl]phenyl})boranuide | potassium;trifluoro-[4-(morpholin-4-

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

AKOS016339757 | Potassium trifluoro(4-(morpholinomethyl)phenyl)borate | Potassium4-((morpholino)methyl)-phenyltrifluoroborate | 1190095-06-7 | F87037 | potassium trifluoro({4-[(morpholin-4-yl)methyl]phenyl})boranuide | potassium;trifluoro-[4-(morpholin-4-

Specifications & Purity

≥96%

Storage

Room temperature

Shipped In

Normal

Purity

≥96%

Names and Identifiers

• Canonical Smiles: [B-](C1=CC=C(C=C1)CN2CCOCC2)(F)(F)F.[K+]
• IUPAC Name: potassium;trifluoro-[4-(morpholin-4-ylmethyl)phenyl]boranuide
• InChIKey: HLIJBOGELSTIEW-UHFFFAOYSA-N
• INCHI: 1S/C11H14BF3NO.K/c13-12(14,15)11-3-1-10(2-4-11)9-16-5-7-17-8-6-16;/h1-4H,5-9H2;/q-1;+1
• Isomeric SMILES: [B-](C1=CC=C(C=C1)CN2CCOCC2)(F)(F)F.[K+]
• PubChem CID: 44470411
• Molecular Weight: 283.1

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Phenylmethylamines

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Phenylmethylamines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylmethylamines
• Alternative Parents: Benzylamines Aralkylamines Morpholines 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: Aromatic heteromonocyclic compounds
• Substituents: Benzylamine - Phenylmethylamine - Aralkylamine - Morpholine - Oxazinane - Boronic acid derivative - Tertiary amine - Tertiary aliphatic amine - Azacycle - Oxacycle - Organoheterocyclic compound - Organic alkali metal salt - Organic metalloid salt - Dialkyl ether - Ether - Organic metal halide - Organic potassium salt - Organic salt - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic metalloid moeity - Organic oxygen compound - Organic nitrogen compound - Amine - Organic cation - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenylmethylamines. These are compounds containing a phenylmethtylamine moiety, which consists of a phenyl group substituted by an methanamine.
• 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: 283.140 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 283.076 Da
• Monoisotopic Mass: 283.076 Da
• Topological Polar Surface Area: 12.500 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 241.000
• 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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