3-Ethylcarbazole - ≥97% , CAS No.5599-49-5

CAS: 5599-49-5 Cat. No.: E170993 Formule: C₁₄H₁₃N Poids moléculaire: 195.26 Numéro CE: 694-396-8

GRADE & PURITY ≥97%

Synonyms

3-Ethylcarbazole | 3-ethyl carbazole | AKOS006229665 | FT-0635781 | 3-ethyl-9H-carbazole | A913761 | 3-Ethylcarbazole, 97% | SCHEMBL4812375 | MFCD00049212

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonymes

3-Ethylcarbazole | 3-ethyl carbazole | AKOS006229665 | FT-0635781 | 3-ethyl-9H-carbazole | A913761 | 3-Ethylcarbazole, 97% | SCHEMBL4812375 | MFCD00049212

Spécifications et pureté

≥97%

Conditions de stockage de stockage

Store at 2-8°C

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥97%

Noms et identifiants

• Pubchem Sid: 528758348
• Sourires canoniques: CCC1=CC2=C(C=C1)NC3=CC=CC=C32
• IUPAC Name: 3-ethyl-9H-carbazole
• InChIKey: DJMRXHOKZAERIV-UHFFFAOYSA-N
• INCHI: 1S/C14H13N/c1-2-10-7-8-14-12(9-10)11-5-3-4-6-13(11)15-14/h3-9,15H,2H2,1H3
• Isomères SMILES: CCC1=CC2=C(C=C1)NC3=CC=CC=C32
• WGK Allemagne: 3
• Poids moléculaire: 195.26
• Reaxy-Rn: 147615
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=147615&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Indoles and derivatives
• Subclass: Carbazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Carbazoles
• Alternative Parents: Indoles Benzenoids Pyrroles Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Carbazole - Indole - Benzenoid - Heteroaromatic compound - Pyrrole - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteropolycyclic compound
• Description: 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

Propriétés chimiques et physiques

• Point de fusion (°C): 148-152°C
• Poids moléculaire: 195.260 g/mol
• XLogP3: 4.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 195.105 Da
• Monoisotopic Mass: 195.105 Da
• Topological Polar Surface Area: 15.800 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 225.000
• 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