9-(2-Ethylhexyl)carbazole-3,6-dicarboxaldehyde - ≥96% , CAS No.169051-20-1

CAS: 169051-20-1 Cat. No.: E343230 Peso molecular: 335.44 Número EC: 623-882-4

GRADE & PURITY ≥96%

Synonyms

9-(2-ETHYLHEXYL)CARBAZOLE-3 6-DICARBOXA& | DTXSID80584611 | 9-(2-Ethylhexyl)carbazole-3,6-dicarboxaldehyde, 97% | 9-(2-Ethylhexyl)carbazole-3,6-dicarboxaldehyde | SCHEMBL690819 | 9-(2-ETHYLHEXYL)CARBAZOLE-3,6-DICARBALDEHYDE | 9-(2-Ethylhexyl)-9H-carbazole

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

9-(2-ETHYLHEXYL)CARBAZOLE-3 6-DICARBOXA& | DTXSID80584611 | 9-(2-Ethylhexyl)carbazole-3, 6-dicarboxaldehyde, 97% | 9-(2-Ethylhexyl)carbazole-3, 6-dicarboxaldehyde | SCHEMBL690819 | 9-(2-ETHYLHEXYL)CARBAZOLE-3, 6-DICARBALDEHYDE | 9-(2-Ethylhexyl)-9H-carbazole

Especificaciones y pureza

≥96%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥96%

Nombres e identificadores

• Pubchem Sid: 504768292
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504768292
• Sonrisas canónicas: CCCCC(CC)CN1C2=C(C=C(C=C2)C=O)C3=C1C=CC(=C3)C=O
• IUPAC Name: 9-(2-ethylhexyl)carbazole-3,6-dicarbaldehyde
• InChIKey: JWQOZEXSBKOAAL-UHFFFAOYSA-N
• INCHI: 1S/C22H25NO2/c1-3-5-6-16(4-2)13-23-21-9-7-17(14-24)11-19(21)20-12-18(15-25)8-10-22(20)23/h7-12,14-16H,3-6,13H2,1-2H3
• Isómeros SMILES: CCCCC(CC)CN1C2=C(C=C(C=C2)C=O)C3=C1C=CC(=C3)C=O
• Peso molecular: 335.44
• Reaxy-Rn: 9217517
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9217517&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Indoles and derivatives
• Subclass: Carbazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Carbazoles
• Alternative Parents: N-alkylindoles Indoles Aryl-aldehydes Substituted pyrroles Benzenoids Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Carbazole - N-alkylindole - Indole - Aryl-aldehyde - Substituted pyrrole - Benzenoid - Heteroaromatic compound - Pyrrole - Azacycle - Organopnictogen compound - Aldehyde - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as carbazoles. These are compounds containing a three ring system containing a pyrrole ring fused on either side to a benzene ring.
• 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): 105-110° C (lit.)
• Peso molecular: 335.400 g/mol
• XLogP3: 5.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 8
• Exact Mass: 335.189 Da
• Monoisotopic Mass: 335.189 Da
• Topological Polar Surface Area: 39.100 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 419.000
• 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