acide 2-(Morpholinométhyl)phénylboronique - ≥98% , CAS No.223433-45-2

CAS: 223433-45-2 Cat. No.: M182943 Formule: C₁₁H₁₆BNO₃ Poids moléculaire: 221.1 Numéro CE: 806-638-3

GRADE & PURITY ≥98%

Synonyms

Penn Chem-GAM_001 | (2-(Morpholinomethyl)phenyl)boronic acid | SCHEMBL2465626 | 2-(Morpholin-4-ylmethyl)benzeneboronic acid | EN300-120213 | AB08865 | MFCD01319041 | (2-((morpholine-4-yl)methyl)phenyl)boronic acid | 2-[(Morpholin-4-yl)methyl]benzeneboroni

Storage

Room temperature

Shipped In

Normal

Specifications

Synonymes

Penn Chem-GAM_001 | (2-(Morpholinomethyl)phenyl)boronic acid | SCHEMBL2465626 | 2-(Morpholin-4-ylmethyl)benzeneboronic acid | EN300-120213 | AB08865 | MFCD01319041 | (2-((morpholine-4-yl)methyl)phenyl)boronic acid | 2-[(Morpholin-4-yl)methyl]benzeneboroni

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥98%

Noms et identifiants

• Sourires canoniques: B(C1=CC=CC=C1CN2CCOCC2)(O)O
• IUPAC Name: [2-(morpholin-4-ylmethyl)phenyl]boronic acid
• InChIKey: DFBBOZSTIQMBLF-UHFFFAOYSA-N
• INCHI: 1S/C11H16BNO3/c14-12(15)11-4-2-1-3-10(11)9-13-5-7-16-8-6-13/h1-4,14-15H,5-9H2
• Isomères SMILES: B(C1=CC=CC=C1CN2CCOCC2)(O)O
• Poids moléculaire: 221.1
• Reaxy-Rn: 532990
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=532990&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Phenylmethylamines

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Phenylmethylamines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylmethylamines
• Alternative Parents: Benzylamines Aralkylamines Morpholines Trialkylamines Boronic acids Oxacyclic compounds Organic metalloid salts Dialkyl ethers Azacyclic compounds Organometalloid compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Benzylamine - Phenylmethylamine - Aralkylamine - Morpholine - Oxazinane - Boronic acid derivative - Boronic acid - Tertiary amine - Tertiary aliphatic amine - Ether - Dialkyl ether - Azacycle - Oxacycle - Organoheterocyclic compound - Organic metalloid salt - Organic nitrogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic metalloid moeity - Amine - Hydrocarbon derivative - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenylmethylamines. These are compounds containing a phenylmethtylamine moiety, which consists of a phenyl group substituted by an methanamine.
• 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

Propriétés chimiques et physiques

• Poids moléculaire: 221.060 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 221.122 Da
• Monoisotopic Mass: 221.122 Da
• Topological Polar Surface Area: 52.900 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 209.000
• 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

Foire aux questions

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

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 223433-45-2, the molecular formula is C11H16BNO3, and the molecular weight is 221.1 g/mol. InChIKey DFBBOZSTIQMBLF-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.