N-Methylbenzamide - ≥98% , CAS No.613-93-4

CAS: 613-93-4 Cat. No.: N304144 Formula: C₈H₉NO Peso molecolare: 135.17 Numero EC: 210-362-3

GRADE & PURITY ≥98%

Synonyms

NCCHARWOCKOHIH-UHFFFAOYSA- | Z32016410 | AKOS002304094 | NSC42944 | NSC-42944 | METHYLBENZAMIDE, N- | NSC 42944 | SCHEMBL6100 | SCHEMBL7551593 | MFCD00011642 | AP-065/40250235 | Benzamide, N-methyl- | AS-11419 | EINECS 210-362-3 | EN300-131692 | N-METHYLB

Storage

Room temperature,Desiccated

Shipped In

Normal

Panoramica

application：

It acts as a potent PDE10A (phosphodiesterase with a remarkable localization as the protein is abundant only in brain tissue) inhibitor. It is also employed as a pharmaceutical intermediate.

Specifications

Sinonimi

NCCHARWOCKOHIH-UHFFFAOYSA- | Z32016410 | AKOS002304094 | NSC42944 | NSC-42944 | METHYLBENZAMIDE, N- | NSC 42944 | SCHEMBL6100 | SCHEMBL7551593 | MFCD00011642 | AP-065/40250235 | Benzamide, N-methyl- | AS-11419 | EINECS 210-362-3 | EN300-131692 | N-METHYLB

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Room temperature,Desiccated

Spedito in

Normal

Tipo di azione

INHIBITOR

Purezza

≥98%

Nomi e identificatori

Pubchem Sid

488181494

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488181494

Sorrisi canonici

CNC(=O)C1=CC=CC=C1

IUPAC Name

N-methylbenzamide

InChIKey

NCCHARWOCKOHIH-UHFFFAOYSA-N

INCHI

1S/C8H9NO/c1-9-8(10)7-5-3-2-4-6-7/h2-6H,1H3,(H,9,10)

Isomeri SMILES

CNC(=O)C1=CC=CC=C1

Peso molecolare

135.17

Reaxy-Rn

1209880

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1209880&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 Secondary carboxylic acid amides Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzamide - Benzoyl - Secondary 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
• Descrizione: 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: 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

Obiettivi associati (non umani)

Mus musculus (284745 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: Insoluble in water.
• Punto di ebollizione (°C): 167°C/11mmHg
• Punto di fusione (°C): 76-78°C
• Peso molecolare: 135.160 g/mol
• XLogP3: 0.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 135.068 Da
• Monoisotopic Mass: 135.068 Da
• Topological Polar Surface Area: 29.100 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 116.000
• 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

Domande frequenti

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, desiccated. Keep the container tightly closed with desiccant — the material is moisture-sensitive.

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 613-93-4, the molecular formula is C8H9NO, and the molecular weight is 135.17 g/mol. InChIKey NCCHARWOCKOHIH-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.