3-Aminobenzophenone - ≥98% , CAS No.2835-78-1

CAS: 2835-78-1 Cat. No.: A151498 Fórmula: C₁₃H₁₁NO Peso molecular: 197.24 Beilstein Registry Number: 14(4)247 Número CE: 220-614-4

GRADE & PURITY ≥98%

Synonyms

NCIOpen2_001023 | Methanone, (3-aminophenyl)phenyl- | SCHEMBL147608 | BBL034235 | A876733 | STL417815 | BDBM50591350 | 3-Aminobenzophenone | 3-amino-benzophenone | MFCD00017103 | NSC86511 | NSC-86511 | EN300-52314 | (3-Aminophenyl)(phenyl)methanone | 3-Be

Storage

Argon charged,Room temperature

Shipped In

Normal

Visão geral

Product Introduction

3-Aminobenzophenone forms cyclodextrin (α and β) based nanostructures through the supramolecular self assembly.  

Application

3-Aminobenzophenone has been used in the synthesis of racemic benzophenone ureas, chiral photoaffinity labeling probes.

Specifications

Sinónimos

NCIOpen2_001023 | Methanone, (3-aminophenyl)phenyl- | SCHEMBL147608 | BBL034235 | A876733 | STL417815 | BDBM50591350 | 3-Aminobenzophenone | 3-amino-benzophenone | MFCD00017103 | NSC86511 | NSC-86511 | EN300-52314 | (3-Aminophenyl)(phenyl)methanone | 3-Be

Especificações e pureza

≥98%

Condições de armazenamento de armazenamento

Argon charged,Room temperature

Enviado em

Normal

Pureza

≥98%

Nomes e identificadores

• Pubchem Sid: 488182416
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488182416
• Sorrisos canónicos: C1=CC=C(C=C1)C(=O)C2=CC(=CC=C2)N
• IUPAC Name: (3-aminophenyl)-phenylmethanone
• InChIKey: FUADXEJBHCKVBN-UHFFFAOYSA-N
• INCHI: 1S/C13H11NO/c14-12-8-4-7-11(9-12)13(15)10-5-2-1-3-6-10/h1-9H,14H2
• SMILES isoméricas: C1=CC=C(C=C1)C(=O)C2=CC(=CC=C2)N
• WGK Alemanha: 3
• RTECS: DJ0170000
• Peso molecular: 197.24
• Beilstein: 14(4)247
• Reaxy-Rn: 2209413
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2209413&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Benzophenones
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzophenones
• Alternative Parents: Diphenylmethanes Aryl-phenylketones Benzoyl derivatives Aniline and substituted anilines Primary amines Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzophenone - Diphenylmethane - Aryl-phenylketone - Aniline or substituted anilines - Aryl ketone - Benzoyl - Ketone - Organic oxide - Hydrocarbon derivative - Primary amine - Organooxygen compound - Organonitrogen compound - Amine - Organic nitrogen compound - Organopnictogen compound - Organic oxygen compound - Aromatic homomonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as benzophenones. These are organic compounds containing a ketone attached to two phenyl groups.
• 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

Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: Soluble in Methanol
• Sensibilidade: air sensitive
• Ponto de fusão (°C): 86 °C
• Peso molecular: 197.230 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 197.084 Da
• Monoisotopic Mass: 197.084 Da
• Topological Polar Surface Area: 43.100 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 221.000
• 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

Perguntas frequentes

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 under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

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 2835-78-1, the molecular formula is C13H11NO, and the molecular weight is 197.24 g/mol. InChIKey FUADXEJBHCKVBN-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.