2-(4-N-Boc-piperazino)pyridine-5-boronic acid - ≥96% , CAS No.919347-67-4

CAS: 919347-67-4 Cat. No.: N188276 Peso molecular: 307.2

GRADE & PURITY ≥96%

Synonyms

[6-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridin-3-yl]boronic acid | FT-0719391 | 6-(4-Boc-1-piperazinyl)pyridine-3-boronic Acid | C14H22BN3O4 | MFCD09952037 | 6-(4-Boc-piperazine-1-yl)pyridine-3-boronic acid | 6-(4-N-Boc-Piperazine-1-yl)-3-

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

[6-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridin-3-yl]boronic acid | FT-0719391 | 6-(4-Boc-1-piperazinyl)pyridine-3-boronic Acid | C14H22BN3O4 | MFCD09952037 | 6-(4-Boc-piperazine-1-yl)pyridine-3-boronic acid | 6-(4-N-Boc-Piperazine-1-yl)-3-

Especificaciones y pureza

≥96%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥96%

Nombres e identificadores

• Pubchem Sid: 504771093
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504771093
• Sonrisas canónicas: B(C1=CN=C(C=C1)N2CCN(CC2)C(=O)OC(C)(C)C)(O)O
• IUPAC Name: [6-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridin-3-yl]boronic acid
• InChIKey: SYZMMRYQYWCLNC-UHFFFAOYSA-N
• INCHI: 1S/C14H22BN3O4/c1-14(2,3)22-13(19)18-8-6-17(7-9-18)12-5-4-11(10-16-12)15(20)21/h4-5,10,20-21H,6-9H2,1-3H3
• Isómeros SMILES: B(C1=CN=C(C=C1)N2CCN(CC2)C(=O)OC(C)(C)C)(O)O
• Peso molecular: 307.2
• Reaxy-Rn: 14428978
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14428978&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Diazinanes
      • Subclass Piperazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Diazinanes
• Subclass: Piperazines
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridinylpiperazines
• Alternative Parents: N-arylpiperazines Piperazine carboxylic acids Dialkylarylamines Aminopyridines and derivatives Imidolactams Heteroaromatic compounds Carbamate esters Boronic acids Organic metalloid salts Azacyclic compounds Organopnictogen compounds Organometalloid compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyridinylpiperazine - N-arylpiperazine - Piperazine-1-carboxylic acid - Dialkylarylamine - Aminopyridine - Pyridine - Imidolactam - Carbamic acid ester - Heteroaromatic compound - Boronic acid - Boronic acid derivative - Azacycle - Organic metalloid salt - Organic nitrogen compound - Hydrocarbon derivative - Amine - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic metalloid moeity - Carbonyl group - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as pyridinylpiperazines. These are compounds containing a pyridinylpiperazine skeleton, which consists of a pyridine linked (not fused) to a piperazine by a bond by a single bond that is not part of a ring.
• 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: 307.160 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 307.17 Da
• Monoisotopic Mass: 307.17 Da
• Topological Polar Surface Area: 86.100 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 381.000
• 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: 1

XLogP3