Potassium (4-BOC-piperazin-1-yl)methyltrifluoroborate - ≥95% , CAS No.936329-97-4

CAS: 936329-97-4 Cat. No.: P188403 Peso molecular: 306.2 Número EC: 677-466-2 PubChem CID: 45588144

GRADE & PURITY ≥95%

Synonyms

potassium;trifluoro-[[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]methyl]boranuide | potassium ((4-(tert.-butoxycarbonyl)-piperazin-1-yl)-methyl)-trifluoroborate | Potassium [(4-Boc-1-piperazinyl)methyl]trifluoroborate | DTXSID50670570 | FT-0603955

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

potassium;trifluoro-[[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]methyl]boranuide | potassium ((4-(tert.-butoxycarbonyl)-piperazin-1-yl)-methyl)-trifluoroborate | Potassium [(4-Boc-1-piperazinyl)methyl]trifluoroborate | DTXSID50670570 | FT-0603955

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥95%

Nombres e identificadores

• Sonrisas canónicas: [B-](CN1CCN(CC1)C(=O)OC(C)(C)C)(F)(F)F.[K+]
• IUPAC Name: potassium;trifluoro-[[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]methyl]boranuide
• InChIKey: WVNSYJFWKWTVKH-UHFFFAOYSA-N
• INCHI: 1S/C10H19BF3N2O2.K/c1-10(2,3)18-9(17)16-6-4-15(5-7-16)8-11(12,13)14;/h4-8H2,1-3H3;/q-1;+1
• Isómeros SMILES: [B-](CN1CCN(CC1)C(=O)OC(C)(C)C)(F)(F)F.[K+]
• PubChem CID: 45588144
• Peso molecular: 306.2

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Diazinanes
      • Subclass Piperazines
        • Level5 Piperazine carboxylic acids and derivatives
          • Level6 Piperazine carboxylic acids

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Diazinanes
• Subclass: Piperazines
• Intermediate Tree Nodes: Piperazine carboxylic acids and derivatives
• Direct Parent: Piperazine carboxylic acids
• Alternative Parents: N-alkylpiperazines Carbamate esters Trialkylamines Boronic acid derivatives Alkylhaloboranes Organic metalloid salts Organic metal halides Azacyclic compounds Organic potassium salts Organic oxides Monoalkylboranes Hydrocarbon derivatives Carbonyl compounds Organic cations
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Piperazine-1-carboxylic acid - N-alkylpiperazine - Carbamic acid ester - Boronic acid derivative - Tertiary amine - Alkylhaloborane - Tertiary aliphatic amine - 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 - Monoalkylborane - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic metalloid moeity - Carbonyl group - Organic cation - Aliphatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as piperazine carboxylic acids. These are heterocyclic compounds containing a piperazine ring substituted by one or more carboxylic acid groups.
• 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

Propiedades químicas y físicas

• Peso molecular: 306.180 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 3
• Exact Mass: 306.113 Da
• Monoisotopic Mass: 306.113 Da
• Topological Polar Surface Area: 32.800 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 302.000
• 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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