2-Morpholinopyridine-3-boronic acid , CAS No.1218790-86-3

CAS: 1218790-86-3 Cat. No.: M166560 Formula: C₉H₁₃BN₂O₃ Molecular Weight: 208.02 EC Number: 690-577-0

Synonyms

J-004700 | AKOS015855936 | MFCD11867876 | [2-(Morpholin-4-yl)pyridin-3-yl]boronic acid | FT-0712070 | 2-(Morpholin-4-yl)pyridine-3-Boronic Acid | (2-morpholin-4-ylpyridin-3-yl)boronic acid | (2-Morpholinopyridin-3-yl)boronic acid | 2-(Morpholin-4-yl)pyrid

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

J-004700 | AKOS015855936 | MFCD11867876 | [2-(Morpholin-4-yl)pyridin-3-yl]boronic acid | FT-0712070 | 2-(Morpholin-4-yl)pyridine-3-Boronic Acid | (2-morpholin-4-ylpyridin-3-yl)boronic acid | (2-Morpholinopyridin-3-yl)boronic acid | 2-(Morpholin-4-yl)pyrid

Storage

Room temperature

Shipped In

Normal

Names and Identifiers

• Canonical Smiles: B(C1=C(N=CC=C1)N2CCOCC2)(O)O
• IUPAC Name: (2-morpholin-4-ylpyridin-3-yl)boronic acid
• InChIKey: SWDPLAALYQOCHB-UHFFFAOYSA-N
• INCHI: 1S/C9H13BN2O3/c13-10(14)8-2-1-3-11-9(8)12-4-6-15-7-5-12/h1-3,13-14H,4-7H2
• Isomeric SMILES: B(C1=C(N=CC=C1)N2CCOCC2)(O)O
• WGK Germany: 2
• Molecular Weight: 208.02
• Reaxy-Rn: 27004246
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=27004246&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Class: 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
• Description: 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

Chemical and Physical Properties

• Molecular Weight: 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

XLogP3

Frequently Asked Questions

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 1218790-86-3, the molecular formula is C9H13BN2O3, and the molecular weight is 208.02 g/mol. InChIKey SWDPLAALYQOCHB-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.