N-(2,3-Epoxypropyl)phthalimide - ≥95% , CAS No.5455-98-1

CAS: 5455-98-1 Cat. No.: I137268 Molecular Weight: 203.19 Beilstein Registry Number: 171277 EC Number: 226-710-2

GRADE & PURITY ≥95%

Synonyms

J-522810 | N-(2,3-Epoxypropyl)phthalimide, >=95.0% | DTXSID00884165 | FT-0601280 | 2,3-Epoxypropylphthalimide | AKOS016338801 | DUILGEYLVHGSEE-UHFFFAOYSA- | MLS002638000 | SY058949 | 2-(oxiranylmethyl)-1H-isoindole-1,3-(2H)-dione | 2-(Oxiranylmethyl)-1H-i

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

J-522810 | N-(2, 3-Epoxypropyl)phthalimide, >=95.0% | DTXSID00884165 | FT-0601280 | 2, 3-Epoxypropylphthalimide | AKOS016338801 | DUILGEYLVHGSEE-UHFFFAOYSA- | MLS002638000 | SY058949 | 2-(oxiranylmethyl)-1H-isoindole-1, 3-(2H)-dione | 2-(Oxiranylmethyl)-1H-i

Specifications & Purity

≥95%

Storage

Room temperature

Shipped In

Normal

Purity

≥95%

Names and Identifiers

• Pubchem Sid: 488182710
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488182710
• Canonical Smiles: C1C(O1)CN2C(=O)C3=CC=CC=C3C2=O
• IUPAC Name: 2-(oxiran-2-ylmethyl)isoindole-1,3-dione
• InChIKey: DUILGEYLVHGSEE-UHFFFAOYSA-N
• INCHI: 1S/C11H9NO3/c13-10-8-3-1-2-4-9(8)11(14)12(10)5-7-6-15-7/h1-4,7H,5-6H2
• Isomeric SMILES: C1C(O1)CN2C(=O)C3=CC=CC=C3C2=O
• WGK Germany: 2
• RTECS: TI4950000
• Molecular Weight: 203.19
• Beilstein: 171277
• Reaxy-Rn: 171277
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=171277&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Isoindoles and derivatives
• Subclass: Isoindolines
• Intermediate Tree Nodes: Isoindolones
• Direct Parent: Phthalimides
• Alternative Parents: Isoindoles N-substituted carboxylic acid imides Benzenoids Oxacyclic compounds Epoxides Dialkyl ethers Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Phthalimide - Isoindole - Benzenoid - Carboxylic acid imide, n-substituted - Carboxylic acid imide - Carboxylic acid derivative - Dialkyl ether - Oxirane - Ether - Oxacycle - Azacycle - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
• Description: 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

Mechanisms of Action

Chemical and Physical Properties

• Melt Point(°C): 92 - 98 °C - lit.
• Molecular Weight: 203.190 g/mol
• XLogP3: 1.200
• 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: 49.900 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 291.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1