α-Methyl-α-phenylsuccinimide - ≥95% , CAS No.1497-17-2

CAS: 1497-17-2 Cat. No.: M474542 Fórmula: C₁₁H₁₁NO₂ Peso molecular: 189.21 Número EC: 216-091-7

GRADE & PURITY ≥95%

Synonyms

A884241 | EN300-120840 | STK109313 | MFCD00005496 | EINECS 216-091-7 | BAA49717 | PD183861 | UNII-1X877DO1N9 | Mesuximide, M(nor-) | N-Demethylmethsuximide | 2,5-Pyrrolidinedione, 3-methyl-3-phenyl- | SUCCINIMIDE, 2-METHYL-2-PHENYL- | FT-0673105 | (+/-)-.

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

A884241 | EN300-120840 | STK109313 | MFCD00005496 | EINECS 216-091-7 | BAA49717 | PD183861 | UNII-1X877DO1N9 | Mesuximide, M(nor-) | N-Demethylmethsuximide | 2,5-Pyrrolidinedione, 3-methyl-3-phenyl- | SUCCINIMIDE, 2-METHYL-2-PHENYL- | FT-0673105 | (+/-)-.

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥95%

Nombres e identificadores

Pubchem Sid

504756106

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504756106

Sonrisas canónicas

CC1(CC(=O)NC1=O)C2=CC=CC=C2

IUPAC Name

3-methyl-3-phenylpyrrolidine-2,5-dione

InChIKey

UDESUGJZUFALAM-UHFFFAOYSA-N

INCHI

1S/C11H11NO2/c1-11(7-9(13)12-10(11)14)8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,12,13,14)

Isómeros SMILES

CC1(CC(=O)NC1=O)C2=CC=CC=C2

WGK Alemania

3

Peso molecular

189.21

Reaxy-Rn

144465

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=144465&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Pyrrolidines
      • Subclass Phenylpyrrolidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Pyrrolidines
• Subclass: Phenylpyrrolidines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpyrrolidines
• Alternative Parents: Pyrrolidine-2-ones Benzene and substituted derivatives Pyrroles N-unsubstituted carboxylic acid imides Dicarboximides Lactams Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 3-phenylpyrrolidine - Monocyclic benzene moiety - Pyrrolidone - 2-pyrrolidone - Benzenoid - Carboxylic acid imide - Dicarboximide - Carboxylic acid imide, n-unsubstituted - Pyrrole - Lactam - Carboxylic acid derivative - Azacycle - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organic nitrogen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as phenylpyrrolidines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrrolidine ring through a CC or CN bond. Pyrrolidine is a five-membered saturated aliphatic heterocycle with one nitrogen atom and four carbon atoms.
• 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

• Punto de fusión (°C): 83-85 °C
• Peso molecular: 189.210 g/mol
• XLogP3: 1.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 189.079 Da
• Monoisotopic Mass: 189.079 Da
• Topological Polar Surface Area: 46.200 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 268.000
• 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