N-(4-Pentynyl)phthalimide - ≥97% , CAS No.6097-07-0

CAS: 6097-07-0 Cat. No.: N342060 Formula: C₁₃H₁₁NO₂ Peso molecolare: 213.23 Numero EC: 628-129-3

GRADE & PURITY ≥97%

Synonyms

2-pent-4-ynyl-isoindole-1,3-dione | 2-pent-4-ynylisoindole-1,3-dione | N-(4-PENTYNYL)PHTHALIMIDE 97 | N-(4-Pentynyl)phthalimide, 97% | MFCD06798110 | FT-0712479 | AKOS015898136 | 2-(Pent-4-yn-1-yl)isoindoline-1,3-dione | YNZIPXLLPFYDGM-UHFFFAOYSA-N | DTX

Storage

Room temperature

Shipped In

Normal

Specifications

Sinonimi

2-pent-4-ynyl-isoindole-1,3-dione | 2-pent-4-ynylisoindole-1,3-dione | N-(4-PENTYNYL)PHTHALIMIDE 97 | N-(4-Pentynyl)phthalimide, 97% | MFCD06798110 | FT-0712479 | AKOS015898136 | 2-(Pent-4-yn-1-yl)isoindoline-1,3-dione | YNZIPXLLPFYDGM-UHFFFAOYSA-N | DTX

Specifiche e purezza

≥97%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥97%

Nomi e identificatori

Pubchem Sid

504766717

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504766717

Sorrisi canonici

C#CCCCN1C(=O)C2=CC=CC=C2C1=O

IUPAC Name

2-pent-4-ynylisoindole-1,3-dione

InChIKey

YNZIPXLLPFYDGM-UHFFFAOYSA-N

INCHI

1S/C13H11NO2/c1-2-3-6-9-14-12(15)10-7-4-5-8-11(10)13(14)16/h1,4-5,7-8H,3,6,9H2

Isomeri SMILES

C#CCCCN1C(=O)C2=CC=CC=C2C1=O

WGK Germania

3

Peso molecolare

213.23

Reaxy-Rn

1530029

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1530029&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 N-substituted carboxylic acid imides Benzenoids Azacyclic compounds Acetylides Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Phthalimide - Isoindole - Carboxylic acid imide, n-substituted - Benzenoid - Carboxylic acid imide - Carboxylic acid derivative - Acetylide - Azacycle - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Aromatic heteropolycyclic compound
• Descrizione: 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

Proprietà chimiche e fisiche

• Punto di fusione (°C): 87-91 °C (lit.)
• Peso molecolare: 213.230 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 213.079 Da
• Monoisotopic Mass: 213.079 Da
• Topological Polar Surface Area: 37.400 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 328.000
• 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

Domande frequenti

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 6097-07-0, the molecular formula is C13H11NO2, and the molecular weight is 213.23 g/mol. InChIKey YNZIPXLLPFYDGM-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.