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

CAS: 5813-86-5 Cat. No.: M304055 分子式: CH₃OC₆H₄CONH₂ 分子量: 151.16 EC番号: 227-379-7

グレード＆純度 ≥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

仕様

同義語

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

仕様と純度

≥98%

保管条件

Store at -20°C,Desiccated

入荷

Ice chest + Ice pads

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

純度

≥98%

名前と識別子

パブケム・シド

488187125

パブケム・シド・ウル

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

カノニカル・スマイル

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)

異性体SMILES

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

WGKドイツ

3

分子量

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
    • 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: 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
• 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: 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

関連ターゲット（人間）

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

Discover Target: PARP1

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SMAD3 Tchem Mothers against decapentaplegic homolog 3 (68039 Activities)

Discover Target: SMAD3

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関連ターゲット（非人間）

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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作用メカニズム

化学的性質と物理的性質

• 融点（°C）: 132.5-135.5\xa0°C(lit.)
• 分子量: 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