N-(5-Hexynyl)phthalimide - ≥95% , CAS No.6097-08-1

CAS: 6097-08-1 Cat. No.: I171156 Summenformel: C₁₄H₁₃NO₂ Molekulargewicht: 227.26

GRADE & PURITY ≥95%

Synonyms

AS-63685 | SB64807 | 6-Phthalimido-1-hexyne | WALVSJIWVWDFCU-UHFFFAOYSA-N | N-(5-Hexynyl)phthalimide | AKOS015898135 | SCHEMBL504643 | MFCD00671372 | N-(5-Hexynyl)phthalimide, >=95% | 2-hex-5-ynylisoindole-1,3-dione | W11375 | 2-(hex-5-yn-1-yl)isoindoline

Storage

Room temperature

Shipped In

Normal

Übersicht

N-(5-Hexynyl)phthalimide is an N-alkyl substituted phthalimide derivative.

Application

N-(5-Hexynyl)phthalimide may be used as a precursor to form silicon-carbon monolayers on silicon nanowires (SiNWs). It may also be used in the preparation of N-(5-(phenylamino)hexyl)phthalimide 

Specifications

Synonyme

AS-63685 | SB64807 | 6-Phthalimido-1-hexyne | WALVSJIWVWDFCU-UHFFFAOYSA-N | N-(5-Hexynyl)phthalimide | AKOS015898135 | SCHEMBL504643 | MFCD00671372 | N-(5-Hexynyl)phthalimide, >=95% | 2-hex-5-ynylisoindole-1,3-dione | W11375 | 2-(hex-5-yn-1-yl)isoindoline

Spezifikationen & Reinheit

≥95%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥95%

Namen und Kennungen

Pubchem Sid

488194364

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488194364

Kanonisches Lächeln

C#CCCCCN1C(=O)C2=CC=CC=C2C1=O

IUPAC Name

2-hex-5-ynylisoindole-1,3-dione

InChIKey

WALVSJIWVWDFCU-UHFFFAOYSA-N

INCHI

1S/C14H13NO2/c1-2-3-4-7-10-15-13(16)11-8-5-6-9-12(11)14(15)17/h1,5-6,8-9H,3-4,7,10H2

Isomere SMILES

C#CCCCCN1C(=O)C2=CC=CC=C2C1=O

Molekulargewicht

227.26

Reaxy-Rn

1531427

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1531427&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Isoindoles and derivatives
      • Subclass Isoindolines
        • Ebene5 Isoindolones
          • Ebene6 Phthalimides

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: 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
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Schmelzpunkt (°C): 68-72℃
• Molekulargewicht: 227.260 g/mol
• XLogP3: 2.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 227.095 Da
• Monoisotopic Mass: 227.095 Da
• Topological Polar Surface Area: 37.400 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 342.000
• 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