GI-570310 - ≥97% , CAS No.301210-82-2

CAS: 301210-82-2 Cat. No.: G416722 Fórmula: C₁₃H₁₃N₃O₅ Peso molecular: 291.26

GRADE & PURITY ≥97%

Synonyms

2-(Morpholinomethyl)-5-nitroisoindoline-1,3-dione

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Visão geral

a-glucosidase inhibitors

Specifications

Sinónimos

2-(Morpholinomethyl)-5-nitroisoindoline-1,3-dione

Especificações e pureza

≥97%

Condições de armazenamento de armazenamento

Store at -20°C

Enviado em

Ice chest + Ice pads

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥97%

Propriedades do produto

• ALogP: 0.565
• hba_count: 3
• Ligação rotativa: 3

Nomes e identificadores

• Pubchem Sid: 504760094
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504760094
• Sorrisos canónicos: C1COCCN1CN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-]
• IUPAC Name: 2-(morpholin-4-ylmethyl)-5-nitroisoindole-1,3-dione
• InChIKey: CWKLCBJZEKEMMS-UHFFFAOYSA-N
• INCHI: 1S/C13H13N3O5/c17-12-10-2-1-9(16(19)20)7-11(10)13(18)15(12)8-14-3-5-21-6-4-14/h1-2,7H,3-6,8H2
• SMILES isoméricas: C1COCCN1CN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-]
• Peso molecular: 291.26
• Reaxy-Rn: 23447694
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=23447694&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Isoindoles and derivatives
• Subclass: Isoindolines
• Intermediate Tree Nodes: Isoindolones
• Direct Parent: Phthalimides
• Alternative Parents: Isoindoles Nitroaromatic compounds N-substituted carboxylic acid imides Morpholines Benzenoids Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Organic oxoazanium compounds Dialkyl ethers Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Phthalimide - Isoindole - Nitroaromatic compound - Morpholine - Carboxylic acid imide, n-substituted - Oxazinane - Benzenoid - Carboxylic acid imide - Organic nitro compound - C-nitro compound - Oxacycle - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Dialkyl ether - Ether - Carboxylic acid derivative - Organic oxoazanium - Organic oxygen compound - Organonitrogen compound - Organic nitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Aromatic heteropolycyclic compound
• Descrição: 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

Propriedades químicas e físicas

• DMSO (mM) Solubilidade máxima: 10
• Peso molecular: 291.260 g/mol
• XLogP3: 0.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 291.086 Da
• Monoisotopic Mass: 291.086 Da
• Topological Polar Surface Area: 95.700 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 457.000
• 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

Perguntas frequentes

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 ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 301210-82-2, the molecular formula is C13H13N3O5, and the molecular weight is 291.26 g/mol. InChIKey CWKLCBJZEKEMMS-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.