Phthalimidoacetone - ≥97% , CAS No.3416-57-7

CAS: 3416-57-7 Cat. No.: P136254 分子式: C₁₁H₉NO₃ 分子量: 203.2 Beilstein Registry Number: 21(3/4)5129 EC番号: 874-174-9 PubChem CID: 235046

GRADE & PURITY ≥97%

Synonyms

5(6)-CARBOXYFLUORESCEINDIACETATE | 2-(2-Oxopropyl)-1H-isoindole-1,3(2H)-dione | 2-(2-Oxopropyl)-1H-isoindole-1,3(2H)-dione # | EN300-15455 | SCHEMBL624540 | A822106 | AE-641/00649058 | C4ZC7V7NJ6 | Phthalimidoacetone | Benzo[c]pyrrolidin-2,5-dione, N-acet

Storage

Room temperature

Shipped In

Normal

Specifications

同義語

5(6)-CARBOXYFLUORESCEINDIACETATE | 2-(2-Oxopropyl)-1H-isoindole-1,3(2H)-dione | 2-(2-Oxopropyl)-1H-isoindole-1,3(2H)-dione # | EN300-15455 | SCHEMBL624540 | A822106 | AE-641/00649058 | C4ZC7V7NJ6 | Phthalimidoacetone | Benzo[c]pyrrolidin-2,5-dione, N-acet

仕様と純度

≥97%

保管条件

Room temperature

入荷

Normal

純度

≥97%

名前と識別子

• パブケム・シド: 488188863
• パブケム・シド・ウル: https://pubchem.ncbi.nlm.nih.gov/substance/488188863
• カノニカル・スマイル: CC(=O)CN1C(=O)C2=CC=CC=C2C1=O
• IUPAC Name: 2-(2-oxopropyl)isoindole-1,3-dione
• InChIKey: STMRGLKPBJVVEG-UHFFFAOYSA-N
• INCHI: 1S/C11H9NO3/c1-7(13)6-12-10(14)8-4-2-3-5-9(8)11(12)15/h2-5H,6H2,1H3
• 異性体SMILES: CC(=O)CN1C(=O)C2=CC=CC=C2C1=O
• PubChem CID: 235046
• 分子量: 203.2
• Beilstein: 21(3/4)5129
• Reaxy-Rn: 171646

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 分類 Isoindoles and derivatives
      • Subclass Isoindolines
        • Level5 Isoindolones
          • Level6 Phthalimides

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: Isoindoles and derivatives
• Subclass: Isoindolines
• Intermediate Tree Nodes: Isoindolones
• Direct Parent: Phthalimides
• Alternative Parents: Isoindoles N-substituted carboxylic acid imides Benzenoids Ketones Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Phthalimide - Isoindole - Carboxylic acid imide, n-substituted - Benzenoid - Carboxylic acid imide - Ketone - Carboxylic acid derivative - Azacycle - Carbonyl group - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
• 説明: This compound belongs to the class of organic compounds known as phthalimides. These are aromatic heterocyclic compounds containing a 1,3-dioxoisoindoline moiety. They are imide derivatives of phthalic anhydrides.
• 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）

Trypanosoma cruzi (99888 Activities)

Explore this target

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

Mus musculus (284745 Activities)

Explore this target

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

• 溶解度: Soluble in Acetone,Methanol
• 融点（°C）: 123 °C
• 分子量: 203.190 g/mol
• XLogP3: 1.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 203.058 Da
• Monoisotopic Mass: 203.058 Da
• Topological Polar Surface Area: 54.500 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 300.000
• 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

よくある質問

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

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 3416-57-7, the molecular formula is C11H9NO3, and the molecular weight is 203.2 g/mol. InChIKey STMRGLKPBJVVEG-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.