3-Methoxybenzamide - ≥98% , CAS No.5813-86-5

CAS: 5813-86-5 Cat. No.: M304055 Formule: CH₃OC₆H₄CONH₂ Poids moléculaire: 151.16 Numéro CE: 227-379-7

QUALITÉ & PURETÉ ≥98%

Synonyms

4-10-00-00326 (Beilstein Handbook Reference) | bmse000775 | NSC 209527 | AKOS005207036 | DB03073 | DTXSID00206848 | m-Anisamide | SCHEMBL283787 | VKPLPDIMEREJJF-UHFFFAOYSA- | NSC28589 | NSC-28589 | SMR000471856 | Benzamide, 3-methoxy- | MLS001066418 | 3-M

Storage

Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

Spécifications

Synonymes

4-10-00-00326 (Beilstein Handbook Reference) | bmse000775 | NSC 209527 | AKOS005207036 | DB03073 | DTXSID00206848 | m-Anisamide | SCHEMBL283787 | VKPLPDIMEREJJF-UHFFFAOYSA- | NSC28589 | NSC-28589 | SMR000471856 | Benzamide, 3-methoxy- | MLS001066418 | 3-M

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Store at -20°C,Desiccated

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥98%

Noms et identifiants

Pubchem Sid

488187125

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488187125

Sourires canoniques

COC1=CC=CC(=C1)C(=O)N

IUPAC Name

3-methoxybenzamide

InChIKey

VKPLPDIMEREJJF-UHFFFAOYSA-N

INCHI

1S/C8H9NO2/c1-11-7-4-2-3-6(5-7)8(9)10/h2-5H,1H3,(H2,9,10)

Isomères SMILES

COC1=CC=CC(=C1)C(=O)N

WGK Allemagne

3

Poids moléculaire

151.16

Reaxy-Rn

2206857

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2206857&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: Phenoxy compounds Methoxybenzenes Benzoyl derivatives Anisoles Alkyl aryl ethers Primary carboxylic acid amides Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzamide - Phenoxy compound - Anisole - Benzoyl - Methoxybenzene - Phenol ether - Alkyl aryl ether - Carboxamide group - Primary carboxylic acid amide - Carboxylic acid derivative - Ether - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen 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: 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

Cibles associées (humaines)

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

Discover Target: PARP1

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

SMAD3 Tchem Mothers against decapentaplegic homolog 3 (68039 Activities)

Discover Target: SMAD3

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Cibles associées (non humaines)

ftsZ Cell division protein ftsZ (97 Activities)

Discover Target: ftsZ

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Streptococcus pneumoniae (31063 Activities)

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Staphylococcus aureus (210822 Activities)

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Staphylococcus epidermidis (22802 Activities)

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Streptococcus pyogenes (16140 Activities)

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Bacillus subtilis (32866 Activities)

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Mécanismes d'action

Propriétés chimiques et physiques

• Point de fusion (°C): 132.5-135.5\xa0°C(lit.)
• Poids moléculaire: 151.160 g/mol
• XLogP3: 0.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 151.063 Da
• Monoisotopic Mass: 151.063 Da
• Topological Polar Surface Area: 52.300 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 147.000
• 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