1-Ethyl-2-phenylindole - ≥98%(HPLC) , CAS No.13228-39-2

CAS: 13228-39-2 Cat. No.: E156323 分子式: C₁₆H₁₅N 分子量: 221.3

GRADE & PURITY ≥98%(HPLC)

Synonyms

Z104482460 | EN300-20784 | 2-phenyl-1-ethylindole | 1H-Indole, 1-ethyl-2-phenyl- | D95244 | AS-59427 | MFCD00031481 | 1-Ethyl-2-phenylindole | 1-Ethyl-2-phenyl-1H-indole | NCGC00334332-01 | E0331 | 2Q4U5R8QBV | FT-0636848 | N-Ethyl-2-phenylindole | DTXSID

Storage

Room temperature

Shipped In

Normal

Specifications

同義語

Z104482460 | EN300-20784 | 2-phenyl-1-ethylindole | 1H-Indole, 1-ethyl-2-phenyl- | D95244 | AS-59427 | MFCD00031481 | 1-Ethyl-2-phenylindole | 1-Ethyl-2-phenyl-1H-indole | NCGC00334332-01 | E0331 | 2Q4U5R8QBV | FT-0636848 | N-Ethyl-2-phenylindole | DTXSID

仕様と純度

≥98%(HPLC)

保管条件

Room temperature

入荷

Normal

純度

≥98%(HPLC)

名前と識別子

• パブケム・シド: 488186168
• パブケム・シド・ウル: https://pubchem.ncbi.nlm.nih.gov/substance/488186168
• カノニカル・スマイル: CCN1C2=CC=CC=C2C=C1C3=CC=CC=C3
• IUPAC Name: 1-ethyl-2-phenylindole
• InChIKey: RAKSXVONTIQCGY-UHFFFAOYSA-N
• INCHI: 1S/C16H15N/c1-2-17-15-11-7-6-10-14(15)12-16(17)13-8-4-3-5-9-13/h3-12H,2H2,1H3
• 異性体SMILES: CCN1C2=CC=CC=C2C=C1C3=CC=CC=C3
• 分子量: 221.3
• Reaxy-Rn: 168581
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=168581&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 分類 Indoles and derivatives
      • Subclass Indoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: Indoles and derivatives
• Subclass: Indoles
• Intermediate Tree Nodes: Not available
• Direct Parent: 2-phenylindoles
• Alternative Parents: Phenylpyrroles N-alkylindoles Benzene and substituted derivatives Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 2-phenylindole - 2-phenylpyrrole - N-alkylindole - Benzenoid - Substituted pyrrole - Monocyclic benzene moiety - Heteroaromatic compound - Pyrrole - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteropolycyclic compound
• 説明: This compound belongs to the class of organic compounds known as 2-phenylindoles. These are indoles substituted at the 2-position with a phenyl group.
• 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

化学的性質と物理的性質

• 沸点（°C）: 209°C/19mmHg(lit.)
• 融点（°C）: 86 °C
• 分子量: 221.300 g/mol
• XLogP3: 4.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 221.12 Da
• Monoisotopic Mass: 221.12 Da
• Topological Polar Surface Area: 4.900 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 244.000
• 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

よくある質問

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 13228-39-2, the molecular formula is C16H15N, and the molecular weight is 221.3 g/mol. InChIKey RAKSXVONTIQCGY-UHFFFAOYSA-N.