Benzamide - ≥99% , CAS No.55-21-0

CAS: 55-21-0 Cat. No.: B110552 分子式: C₇H₇NO 分子量: 121.13 Beilstein Registry Number: 385876 EC番号: 200-227-7

GRADE & PURITY ≥99%

Synonyms

AKOS000118773 | SMR000059089 | Phenyl Carboxyamide | YSKVTRZUSMWAQJ-UHFFFAOYSA-N | A830526 | B 2009 | Benzenecarboxamide | benzene-carboxamide | Benzoic acid amide | BRN 0385876 | DTXCID101709 | NCGC00015142-04 | AI3-01031 | BP-21224 | NCGC00015142-06 | S

Storage

Room temperature

Shipped In

Normal

概要

Benzamide on radioiodination by different labeling procedures results in large-scale production of radioiodinated benzamides having potential therapeutic application for patients with metastatic malignant melanoma.
Benzamide was used to study the mechanism of photocatalytic decomposition of aqueous solution of acetic acid, acetamide and acetonitrile in the presence of semiconductors. It was used to develop a robust screening method to study biotransformations using (+)-γ-lactamase enzyme.

Specifications

同義語

AKOS000118773 | SMR000059089 | Phenyl Carboxyamide | YSKVTRZUSMWAQJ-UHFFFAOYSA-N | A830526 | B 2009 | Benzenecarboxamide | benzene-carboxamide | Benzoic acid amide | BRN 0385876 | DTXCID101709 | NCGC00015142-04 | AI3-01031 | BP-21224 | NCGC00015142-06 | S

仕様と純度

≥99%

生化学的・生理学的メカニズム

Inhibits poly(ADP-ribose) polymerase (PARP).

保管条件

Room temperature

入荷

Normal

純度

≥99%

名前と識別子

パブケム・シド

508816420

カノニカル・スマイル

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

IUPAC Name

benzamide

InChIKey

KXDAEFPNCMNJSK-UHFFFAOYSA-N

INCHI

1S/C7H7NO/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H2,8,9)

異性体SMILES

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

WGKドイツ

1

RTECS

CU8700000

分子量

121.13

Beilstein

385876

Reaxy-Rn

385876

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=385876&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 分類 Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzamides
• Alternative Parents: Benzoyl derivatives Primary carboxylic acid amides Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzamide - Benzoyl - Primary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic homomonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as benzamides. These are organic compounds containing a carboxamido substituent attached to a benzene ring.
• External Descriptors: benzamides

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

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作用メカニズム

化学的性質と物理的性質

• 溶解度: Soluble in water, methanol, ammonia, pyridine, carbon tetrachloride, carbon disulfide and ethanol. Slightly soluble in benzene and ethyl ether.
• 感度: Moisture sensitive.
• 引火点（°C）: 180°C
• 沸点（°C）: 288 °C
• 融点（°C）: 128°C
• 分子量: 121.140 g/mol
• XLogP3: 0.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 121.053 Da
• Monoisotopic Mass: 121.053 Da
• Topological Polar Surface Area: 43.100 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 105.000
• 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