5-Ethyl-2-methylpyridine borane complex , CAS No.1014979-56-6

CAS: 1014979-56-6 Cat. No.: E488220 Formule: C₈H₁₄BN Poids moléculaire: 135.01 Numéro CE: 663-328-9 PubChem CID: 25053227

Synonyms

MFCD16621137 | 5-Ethyl-2-picoline Borane | 1014979-56-6 | 5-ETHYL-2-METHYLPYRIDINE BORANE | SCHEMBL487256 | A904001 | MNMBLEICNIBHKB-UHFFFAOYSA-N | 1006873-58-0 | AKOS015891848 | J-517470 | B4084

Storage

Store at 2-8°C

Shipped In

Wet ice

Vue d’ensemble

Description

Reactant for:Organometallic cross-coupling reactionsReductive amination

Specifications

Synonymes

MFCD16621137 | 5-Ethyl-2-picoline Borane | 1014979-56-6 | 5-ETHYL-2-METHYLPYRIDINE BORANE | SCHEMBL487256 | A904001 | MNMBLEICNIBHKB-UHFFFAOYSA-N | 1006873-58-0 | AKOS015891848 | J-517470 | B4084

Conditions de stockage de stockage

Store at 2-8°C

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Noms et identifiants

• Sourires canoniques: [B].CCC1=CN=C(C=C1)C
• InChIKey: VPEPQDBAIMZCGV-UHFFFAOYSA-N
• INCHI: 1S/C8H11N.B/c1-3-8-5-4-7(2)9-6-8;/h4-6H,3H2,1-2H3
• Isomères SMILES: [B].CCC1=CN=C(C=C1)C
• WGK Allemagne: 3
• PubChem CID: 25053227
• Poids moléculaire: 135.01
• Reaxy-Rn: 13125553

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Pyridines and derivatives
      • Subclass Methylpyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Pyridines and derivatives
• Subclass: Methylpyridines
• Intermediate Tree Nodes: Not available
• Direct Parent: Methylpyridines
• Alternative Parents: Heteroaromatic compounds Organic metalloid salts Azacyclic compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Methylpyridine - Heteroaromatic compound - Azacycle - Organic metalloid salt - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as methylpyridines. These are organic compounds containing a pyridine ring substituted at one or more positions by a methyl group.
• 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

Propriétés chimiques et physiques

• Point d'éclair (°F): 221 °F
• Point d'éclair (°C): 105 °C
• Poids moléculaire: 131.990 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 132.098 Da
• Monoisotopic Mass: 132.098 Da
• Topological Polar Surface Area: 12.900 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 80.600
• 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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