N-(2-(4-Bromopyrazol-1-yl)ethyl)phthalimide - ≥98% , CAS No.1226808-60-1

CAS: 1226808-60-1 Cat. No.: N180438 Peso molecular: 320.1

GRADE & PURITY ≥98%

Synonyms

SCHEMBL1873127 | MFCD16295091 | BZB80860 | Sephadex G10 | BS-21290 | 1H-Isoindole-1,3(2H)-dione, 2-[2-(4-bromo-1H-pyrazol-1-yl)ethyl]- | 2-[2-(4-bromopyrazol-1-yl)ethyl]isoindole-1,3-dione | AKOS015834985 | N-(2-(4-Bromopyrazol-1-yl)ethyl)phthalimide | SB

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

SCHEMBL1873127 | MFCD16295091 | BZB80860 | Sephadex G10 | BS-21290 | 1H-Isoindole-1, 3(2H)-dione, 2-[2-(4-bromo-1H-pyrazol-1-yl)ethyl]- | 2-[2-(4-bromopyrazol-1-yl)ethyl]isoindole-1, 3-dione | AKOS015834985 | N-(2-(4-Bromopyrazol-1-yl)ethyl)phthalimide | SB

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: C1=CC=C2C(=C1)C(=O)N(C2=O)CCN3C=C(C=N3)Br
• IUPAC Name: 2-[2-(4-bromopyrazol-1-yl)ethyl]isoindole-1,3-dione
• InChIKey: WFIYPADYPQQLNN-UHFFFAOYSA-N
• INCHI: 1S/C13H10BrN3O2/c14-9-7-15-16(8-9)5-6-17-12(18)10-3-1-2-4-11(10)13(17)19/h1-4,7-8H,5-6H2
• Isómeros SMILES: C1=CC=C2C(=C1)C(=O)N(C2=O)CCN3C=C(C=N3)Br
• Peso molecular: 320.1
• Reaxy-Rn: 21484157
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=21484157&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Isoindoles and derivatives
• Subclass: Isoindolines
• Intermediate Tree Nodes: Isoindolones
• Direct Parent: Phthalimides
• Alternative Parents: Isoindoles N-substituted carboxylic acid imides Benzenoids Aryl bromides Pyrazoles Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Phthalimide - Isoindole - Aryl bromide - Aryl halide - Benzenoid - Carboxylic acid imide, n-substituted - Azole - Carboxylic acid imide - Heteroaromatic compound - Pyrazole - Carboxylic acid derivative - Azacycle - Organic nitrogen compound - Organobromide - Organohalogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
• Descripción: 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

Propiedades químicas y físicas

• Peso molecular: 320.140 g/mol
• XLogP3: 1.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 318.996 Da
• Monoisotopic Mass: 318.996 Da
• Topological Polar Surface Area: 55.200 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 366.000
• 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