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

CAS: 2835-78-1 Cat. No.: A151498 分子式: C₁₃H₁₁NO 分子量: 197.24 Beilstein Registry Number: 14(4)247 EC番号: 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

概要

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

同義語

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

仕様と純度

≥98%

保管条件

Argon charged,Room temperature

入荷

Normal

純度

≥98%

名前と識別子

パブケム・シド

488182416

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/488182416

カノニカル・スマイル

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

異性体SMILES

C1=CC=C(C=C1)C(=O)C2=CC(=CC=C2)N

WGKドイツ

3

RTECS

DJ0170000

分子量

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
    • 分類 Benzene and substituted derivatives
      • Subclass Benzophenones

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: 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
• 説明: 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

作用メカニズム

化学的性質と物理的性質

• 溶解度: Soluble in Methanol
• 感度: air sensitive
• 融点（°C）: 86 °C
• 分子量: 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

よくある質問

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.