5,11-Dihydro-10H-dibenz[b,f]azepin-10-one - ≥97% , CAS No.21737-58-6

CAS: 21737-58-6 Cat. No.: H192070 Peso molecular: 209.24 Número EC: 110-981-8

GRADE & PURITY ≥97%

Synonyms

DTXSID80176131 | 10-Ketoiminodibenzyl (10-Oxo-10,11-dihydro-5H-dibenz[b,f]azepine) | 11-HYDRO-10H-DIBENZO(B,F)AZEPIN-10-ONE | Oxcarbazepine EP IMpurity C | 10-Oxo-10,11-Dihydro-5H-dibenz[b,f]azepine | A852269 | 5H-Dibenzo[b,f]azepin-10(11H)-one | 6,11-dih

Storage

Room temperature

Shipped In

Normal

Descripción general

This product is provided as delivered and specified by the issuing Pharmacopoeia. All information provided in support of this product, including SDS and any product information leaflets have been developed and issued under the Authority of the issuing Pharmacopoeia.

Specifications

Sinónimos

DTXSID80176131 | 10-Ketoiminodibenzyl (10-Oxo-10, 11-dihydro-5H-dibenz[b, f]azepine) | 11-HYDRO-10H-DIBENZO(B, F)AZEPIN-10-ONE | Oxcarbazepine EP IMpurity C | 10-Oxo-10, 11-Dihydro-5H-dibenz[b, f]azepine | A852269 | 5H-Dibenzo[b, f]azepin-10(11H)-one | 6, 11-dih

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 488197235
• Sonrisas canónicas: C1C2=CC=CC=C2NC3=CC=CC=C3C1=O
• IUPAC Name: 6,11-dihydrobenzo[b][1]benzazepin-5-one
• InChIKey: VSZGCLXGCOECAY-UHFFFAOYSA-N
• INCHI: 1S/C14H11NO/c16-14-9-10-5-1-3-7-12(10)15-13-8-4-2-6-11(13)14/h1-8,15H,9H2
• Isómeros SMILES: C1C2=CC=CC=C2NC3=CC=CC=C3C1=O
• Peso molecular: 209.24
• Reaxy-Rn: 1529997
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1529997&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Benzazepines
      • Subclass Dibenzazepines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Benzazepines
• Subclass: Dibenzazepines
• Intermediate Tree Nodes: Not available
• Direct Parent: Dibenzazepines
• Alternative Parents: Aryl alkyl ketones Azepines Primary aromatic amines Benzenoids Vinylogous amides Secondary amines Azacyclic compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Dibenzazepine - Aryl ketone - Aryl alkyl ketone - Azepine - Primary aromatic amine - Benzenoid - Vinylogous amide - Ketone - Secondary amine - Azacycle - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Amine - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as dibenzazepines. These are compounds with two benzene rings connected by an azepine ring. Azepine is an unsaturated seven-member heterocycle with one nitrogen atom replacing a carbon atom.
• 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: 209.240 g/mol
• XLogP3: 2.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 209.084 Da
• Monoisotopic Mass: 209.084 Da
• Topological Polar Surface Area: 29.100 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 276.000
• 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