5-Benzyl-5-azaspiro[2.4]heptane-4,7-dione - ≥98% , CAS No.129306-04-3

CAS: 129306-04-3 Cat. No.: B586918 Peso molecular: 215.25

GRADE & PURITY ≥98%

Synonyms

5-(phenylmethyl)-5-azaspiro[2.4]heptane-4,7-dione | 5-benzyl-5-azaspiro[2.4]heptane-4,7-dione | AM85548 | MFCD22050713 | DTXSID40432200 | C13041 | INVMZALXDUDUFO-UHFFFAOYSA-N | FT-0732001 | 5-Azaspiro[2.4]heptane-4,7-dione, 5-(phenylmethyl)- | AKOS0274224

Storage

Store at 2-8°C,Protected from light,Argon charged,Desiccated

Shipped In

Wet ice

Specifications

Sinónimos

5-(phenylmethyl)-5-azaspiro[2.4]heptane-4, 7-dione | 5-benzyl-5-azaspiro[2.4]heptane-4, 7-dione | AM85548 | MFCD22050713 | DTXSID40432200 | C13041 | INVMZALXDUDUFO-UHFFFAOYSA-N | FT-0732001 | 5-Azaspiro[2.4]heptane-4, 7-dione, 5-(phenylmethyl)- | AKOS0274224

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Protected from light, Argon charged, Desiccated

Enviado en

Wet ice

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

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: C1CC12C(=O)CN(C2=O)CC3=CC=CC=C3
• IUPAC Name: 5-benzyl-5-azaspiro[2.4]heptane-4,7-dione
• InChIKey: INVMZALXDUDUFO-UHFFFAOYSA-N
• INCHI: 1S/C13H13NO2/c15-11-9-14(12(16)13(11)6-7-13)8-10-4-2-1-3-5-10/h1-5H,6-9H2
• Isómeros SMILES: C1CC12C(=O)CN(C2=O)CC3=CC=CC=C3
• Peso molecular: 215.25
• Reaxy-Rn: 7993680
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7993680&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzene and substituted derivatives
• Alternative Parents: Pyrrolidine-3-ones Pyrrolidine-2-ones N-alkylpyrrolidines Tertiary carboxylic acid amides Lactams Ketones Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Monocyclic benzene moiety - Pyrrolidone - 2-pyrrolidone - 3-pyrrolidone - N-alkylpyrrolidine - Pyrrolidine - Tertiary carboxylic acid amide - Carboxamide group - Ketone - Lactam - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Organic oxide - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.
• 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

• Sensibilidad: Light sensitive
• Peso molecular: 215.250 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 215.095 Da
• Monoisotopic Mass: 215.095 Da
• Topological Polar Surface Area: 37.400 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 327.000
• 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