Benzamide - ≥99% , CAS No.55-21-0

CAS: 55-21-0 Cat. No.: B110552 Formule: C₇H₇NO Poids moléculaire: 121.13 Beilstein Registry Number: 385876 Numéro CE: 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

Vue d’ensemble

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

Synonymes

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

Spécifications et pureté

≥99%

Mécanismes biochimiques et physiologiques

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

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥99%

Noms et identifiants

Pubchem Sid

508816420

Sourires canoniques

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)

Isomères SMILES

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

WGK Allemagne

1

RTECS

CU8700000

Poids moléculaire

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
    • Classe Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: 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
• Description: 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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TSHR Tclin Thyroid stimulating hormone receptor (29986 Activities)

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PARP1 Tclin Poly [ADP-ribose] polymerase-1 (6206 Activities)

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CYP2C19 Tchem Cytochrome P450 2C19 (29246 Activities)

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CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)

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TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

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MPHOSPH8 Tbio M-phase phosphoprotein 8 (656 Activities)

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ATXN2 Tbio Ataxin-2 (54410 Activities)

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ampC Beta-lactamase AmpC (62480 Activities)

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H9c2 (3506 Activities)

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rep Replicase polyprotein 1ab (378 Activities)

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Txnrd1 Thioredoxin reductase 1, cytoplasmic (45279 Activities)

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Mapt Microtubule-associated protein tau (6 Activities)

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Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Soluble in water, methanol, ammonia, pyridine, carbon tetrachloride, carbon disulfide and ethanol. Slightly soluble in benzene and ethyl ether.
• Sensibilité: Moisture sensitive.
• Point d'éclair (°C): 180°C
• Point d'ébullition (°C): 288 °C
• Point de fusion (°C): 128°C
• Poids moléculaire: 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