2,3-Dimethoxybenzamide - ≥98% , CAS No.1521-39-7

CAS: 1521-39-7 Cat. No.: D155520 分子式: C₉H₁₁NO₃ 分子量: 181.19 Beilstein Registry Number: 10(2)250 EC番号: 668-204-8

GRADE & PURITY ≥98%

Synonyms

FS-3962 | NSC2353 | NSC-2353 | NSC 2353 | o-Veratramide | SDYIZAANGZBOSO-UHFFFAOYSA-N | J-008893 | dimethoxybenzamide | FT-0633632 | InChI=1/C9H11NO3/c1-12-7-5-3-4-6(9(10)11)8(7)13-2/h3-5H,1-2H3,(H2,10,11) | NSC40843 | NSC-40843 | A809264 | DTXSID60277438

Storage

Room temperature

Shipped In

Normal

Specifications

同義語

FS-3962 | NSC2353 | NSC-2353 | NSC 2353 | o-Veratramide | SDYIZAANGZBOSO-UHFFFAOYSA-N | J-008893 | dimethoxybenzamide | FT-0633632 | InChI=1/C9H11NO3/c1-12-7-5-3-4-6(9(10)11)8(7)13-2/h3-5H,1-2H3,(H2,10,11) | NSC40843 | NSC-40843 | A809264 | DTXSID60277438

仕様と純度

≥98%

保管条件

Room temperature

入荷

Normal

純度

≥98%

名前と識別子

• パブケム・シド: 488188652
• パブケム・シド・ウル: https://pubchem.ncbi.nlm.nih.gov/substance/488188652
• カノニカル・スマイル: COC1=CC=CC(=C1OC)C(=O)N
• IUPAC Name: 2,3-dimethoxybenzamide
• InChIKey: SDYIZAANGZBOSO-UHFFFAOYSA-N
• INCHI: 1S/C9H11NO3/c1-12-7-5-3-4-6(9(10)11)8(7)13-2/h3-5H,1-2H3,(H2,10,11)
• 異性体SMILES: COC1=CC=CC(=C1OC)C(=O)N
• 分子量: 181.19
• Beilstein: 10(2)250
• Reaxy-Rn: 2692715
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2692715&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Benzene and substituted derivatives
• Subclass: Methoxybenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Dimethoxybenzenes
• Alternative Parents: Benzamides Phenoxy compounds Benzoyl derivatives Anisoles Alkyl aryl ethers Primary carboxylic acid amides Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: O-dimethoxybenzene - Dimethoxybenzene - Benzamide - Benzoic acid or derivatives - Phenoxy compound - Anisole - Benzoyl - Phenol ether - Alkyl aryl ether - Primary carboxylic acid amide - Carboxamide group - 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 dimethoxybenzenes. These are organic aromatic compounds containing a monocyclic benzene moiety carrying exactly two methoxy groups.
• 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（非人間）

ftsZ Cell division protein ftsZ (97 Activities)

Discover Target: ftsZ

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

作用メカニズム

化学的性質と物理的性質

• 融点（°C）: 94 °C
• 分子量: 181.190 g/mol
• XLogP3: 0.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 181.074 Da
• Monoisotopic Mass: 181.074 Da
• Topological Polar Surface Area: 61.600 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 184.000
• 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