6-Morpholinopyridine-3-boronic acid (contains varying amounts of Anhydride) - ≥98% , CAS No.904326-93-8

CAS: 904326-93-8 Cat. No.: M187995 Peso molecular: 208.02 Número EC: 801-717-9

GRADE & PURITY ≥98%

Synonyms

FFPQELNXDVTLEW-UHFFFAOYSA-N | Z104495344 | 2-(morpholino)pyridin-5-ylboronic acid | DTXSID40673757 | F13868 | AS-47476 | MFCD03086116 | 2-morpholino-5-pyridine boronic acid | BP-12069 | 6-(4-MORPHOLINYL)-3-PYRIDINYLBORONIC ACID | 6-Morpholino-3-pyridinebo

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

FFPQELNXDVTLEW-UHFFFAOYSA-N | Z104495344 | 2-(morpholino)pyridin-5-ylboronic acid | DTXSID40673757 | F13868 | AS-47476 | MFCD03086116 | 2-morpholino-5-pyridine boronic acid | BP-12069 | 6-(4-MORPHOLINYL)-3-PYRIDINYLBORONIC ACID | 6-Morpholino-3-pyridinebo

Especificaciones y pureza

≥98%

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

≥98%

Nombres e identificadores

• Pubchem Sid: 488201298
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488201298
• Sonrisas canónicas: B(C1=CN=C(C=C1)N2CCOCC2)(O)O
• IUPAC Name: (6-morpholin-4-ylpyridin-3-yl)boronic acid
• InChIKey: FFPQELNXDVTLEW-UHFFFAOYSA-N
• INCHI: 1S/C9H13BN2O3/c13-10(14)8-1-2-9(11-7-8)12-3-5-15-6-4-12/h1-2,7,13-14H,3-6H2
• Isómeros SMILES: B(C1=CN=C(C=C1)N2CCOCC2)(O)O
• Peso molecular: 208.02
• Reaxy-Rn: 20149174
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=20149174&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Clase Organonitrogen compounds
      • Subclass Amines
        • Level5 Tertiary amines
          • Level6 Tertiary alkylarylamines
            • Level7 Dialkylarylamines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Clase: Organonitrogen compounds
• Subclass: Amines
• Intermediate Tree Nodes: Tertiary amines - Tertiary alkylarylamines
• Direct Parent: Dialkylarylamines
• Alternative Parents: Aminopyridines and derivatives Morpholines Imidolactams Heteroaromatic compounds Boronic acids Oxacyclic compounds Organic metalloid salts Dialkyl ethers Azacyclic compounds Organometalloid compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Dialkylarylamine - Aminopyridine - Morpholine - Oxazinane - Pyridine - Imidolactam - Heteroaromatic compound - Boronic acid derivative - Boronic acid - Oxacycle - Dialkyl ether - Ether - Azacycle - Organic metalloid salt - Organoheterocyclic compound - Organic oxygen compound - Organic metalloid moeity - Organooxygen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as dialkylarylamines. These are aliphatic aromatic amines in which the amino group is linked to two aliphatic chains and one aromatic 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

Propiedades químicas y físicas

• Peso molecular: 208.020 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 208.102 Da
• Monoisotopic Mass: 208.102 Da
• Topological Polar Surface Area: 65.800 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 200.000
• 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

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