2-Morpholinopyridine-3-boronic acid pinacol ester , CAS No.1150561-72-0

CAS: 1150561-72-0 Cat. No.: M166130 Formula: C₁₅H₂₃BN₂O₃ Peso molecolare: 290.17

Synonyms

1150561-72-0|4-(3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl)morpholine|2-MORPHOLINOPYRIDINE-3-BORONIC ACID, PINACOL ESTER|4-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]morpholine|4-[3-(tetramethyl-1,3,2-dioxaborolan-2-yl)p

Storage

Room temperature

Shipped In

Normal

Specifications

Sinonimi

1150561-72-0 | 4-(3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl)morpholine | 2-MORPHOLINOPYRIDINE-3-BORONIC ACID, PINACOL ESTER | 4-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]morpholine | 4-[3-(tetramethyl-1,3,2-dioxaborolan-2-yl)p

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Nomi e identificatori

Sorrisi canonici

B1(OC(C(O1)(C)C)(C)C)C2=C(N=CC=C2)N3CCOCC3

IUPAC Name

4-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]morpholine

InChIKey

JLCDXVWUDXAGHB-UHFFFAOYSA-N

INCHI

1S/C15H23BN2O3/c1-14(2)15(3,4)21-16(20-14)12-6-5-7-17-13(12)18-8-10-19-11-9-18/h5-7H,8-11H2,1-4H3

Isomeri SMILES

B1(OC(C(O1)(C)C)(C)C)C2=C(N=CC=C2)N3CCOCC3

Peso molecolare

290.17

Reaxy-Rn

28480505

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=28480505&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Classe: Organonitrogen compounds
• Subclass: Amines
• Intermediate Tree Nodes: Tertiary amines - Tertiary alkylarylamines
• Direct Parent: Dialkylarylamines
• Alternative Parents: Aminopyridines and derivatives Morpholines Imidolactams Heteroaromatic compounds Dioxaborolanes Boronic acid esters 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 - Boronic acid ester - 1,3,2-dioxaborolane - Heteroaromatic compound - Boronic acid derivative - Oxacycle - Ether - Dialkyl ether - Azacycle - Organoheterocyclic compound - Organic metalloid salt - Organooxygen compound - Organic metalloid moeity - Hydrocarbon derivative - Organic oxygen compound - Aromatic heteromonocyclic compound
• Descrizione: 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

Proprietà chimiche e fisiche

• Peso molecolare: 290.170 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 290.18 Da
• Monoisotopic Mass: 290.18 Da
• Topological Polar Surface Area: 43.800 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 356.000
• 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

Domande frequenti

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 1150561-72-0, the molecular formula is C15H23BN2O3, and the molecular weight is 290.17 g/mol. InChIKey JLCDXVWUDXAGHB-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.