Spiro[indoline-3,4'-piperidin]-2-one hydrochloride - ≥98% , CAS No.356072-46-3

CAS: 356072-46-3 Cat. No.: S192963 Peso molecular: 238.71 Número EC: 842-090-1 PubChem CID: 22380589

GRADE & PURITY ≥98%

Synonyms

spiro[indole-3,4'-piperidin]-2(1H)-one hydrochloride | EN300-316745 | Spiro[indole-3,4'-piperidin]-2(1H)-one--hydrogen chloride (1/1) | Spiro[indoline-3,4'-piperidin]-2-one hydrochloride | A874572 | Z2677381794 | 1,2-Dihydro-2-oxo-spiro[3H-indole-3,4'-pip

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

spiro[indole-3, 4'-piperidin]-2(1H)-one hydrochloride | EN300-316745 | Spiro[indole-3, 4'-piperidin]-2(1H)-one--hydrogen chloride (1/1) | Spiro[indoline-3, 4'-piperidin]-2-one hydrochloride | A874572 | Z2677381794 | 1, 2-Dihydro-2-oxo-spiro[3H-indole-3, 4'-pip

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: C1CNCCC12C3=CC=CC=C3NC2=O.Cl
• IUPAC Name: spiro[1H-indole-3,4'-piperidine]-2-one;hydrochloride
• InChIKey: MYFMLWOZVQXZNY-UHFFFAOYSA-N
• INCHI: 1S/C12H14N2O.ClH/c15-11-12(5-7-13-8-6-12)9-3-1-2-4-10(9)14-11;/h1-4,13H,5-8H2,(H,14,15);1H
• Isómeros SMILES: C1CNCCC12C3=CC=CC=C3NC2=O.Cl
• PubChem CID: 22380589
• Peso molecular: 238.71

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Indoles and derivatives
      • Subclass Indolines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Indoles and derivatives
• Subclass: Indolines
• Intermediate Tree Nodes: Not available
• Direct Parent: Indolines
• Alternative Parents: Aralkylamines Piperidines Benzenoids Secondary carboxylic acid amides Lactams Amino acids and derivatives Dialkylamines Azacyclic compounds Organic oxides Hydrochlorides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Dihydroindole - Aralkylamine - Piperidine - Benzenoid - Amino acid or derivatives - Carboxamide group - Lactam - Secondary carboxylic acid amide - Carboxylic acid derivative - Secondary aliphatic amine - Azacycle - Secondary amine - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Amine - Organic oxygen compound - Organooxygen compound - Carbonyl group - Hydrochloride - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as indolines. These are compounds containing an indole moiety, which consists of pyrrolidine ring fused to benzene to form 2,3-dihydroindole.
• 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: 238.710 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 238.087 Da
• Monoisotopic Mass: 238.087 Da
• Topological Polar Surface Area: 41.100 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 271.000
• 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: 2

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