3-(Morpholine-4-carbonyl)phenylboronic acid - ≥98% , CAS No.723281-55-8

CAS: 723281-55-8 Cat. No.: M186252 Molecular Weight: 235.05

GRADE & PURITY ≥98%

Synonyms

AB20398 | I12141 | FT-0733698 | [3-(4-morpholinylcarbonyl) phenyl]boronic acid | (3-(morpholine-4-carbonyl)phenyl)boronic acid | AKOS015855771 | 3-(morpholin-4-carbonyl)phenylboronic acid | SCHEMBL8123 | [3-(4-morpholinylcarbonyl)phenyl]boronic acid | 3-(

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

AB20398 | I12141 | FT-0733698 | [3-(4-morpholinylcarbonyl) phenyl]boronic acid | (3-(morpholine-4-carbonyl)phenyl)boronic acid | AKOS015855771 | 3-(morpholin-4-carbonyl)phenylboronic acid | SCHEMBL8123 | [3-(4-morpholinylcarbonyl)phenyl]boronic acid | 3-(

Specifications & Purity

≥98%

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488194469
• Canonical Smiles: B(C1=CC(=CC=C1)C(=O)N2CCOCC2)(O)O
• IUPAC Name: [3-(morpholine-4-carbonyl)phenyl]boronic acid
• InChIKey: DRZFURCXDFRZNR-UHFFFAOYSA-N
• INCHI: 1S/C11H14BNO4/c14-11(13-4-6-17-7-5-13)9-2-1-3-10(8-9)12(15)16/h1-3,8,15-16H,4-7H2
• Isomeric SMILES: B(C1=CC(=CC=C1)C(=O)N2CCOCC2)(O)O
• Molecular Weight: 235.05
• Reaxy-Rn: 14356985
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14356985&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Oxazinanes
      • Subclass Morpholines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Oxazinanes
• Subclass: Morpholines
• Intermediate Tree Nodes: Not available
• Direct Parent: Morpholine carboxylic acids and derivatives
• Alternative Parents: Benzamides Benzoyl derivatives Tertiary carboxylic acid amides Boronic acids Oxacyclic compounds Organic metalloid salts Dialkyl ethers Azacyclic compounds Organonitrogen compounds Organometalloid compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Benzamide - Benzoic acid or derivatives - Morpholine-4-carboxylic acid or derivatives - Benzoyl - Monocyclic benzene moiety - Benzenoid - Tertiary carboxylic acid amide - Boronic acid derivative - Boronic acid - Carboxamide group - Oxacycle - Azacycle - Organic metalloid salt - Carboxylic acid derivative - Dialkyl ether - Ether - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organic metalloid moeity - Organonitrogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as morpholine carboxylic acids and derivatives. These are heterocyclic compounds containing a morpholine ring substituted by one or more carboxylic acid groups (or derivative thereof).
• 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

• Melt Point(°C): 124-130°
• Molecular Weight: 235.050 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 235.102 Da
• Monoisotopic Mass: 235.102 Da
• Topological Polar Surface Area: 70.000 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 268.000
• 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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