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

CAS: 13228-39-2 Cat. No.: E156323 분자식: C₁₆H₁₅N 분자량: 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

동의어

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

사양 및 순도

≥98%(HPLC)

보관 조건

Room temperature

배송

Normal

순수함

≥98%(HPLC)

이름과 식별자

• Pubchem Sid: 488186168
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488186168
• 정식 스마일: 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
• 이성체 SMILES: CCN1C2=CC=CC=C2C=C1C3=CC=CC=C3
• 분자량: 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
    • 분류 Indoles and derivatives
      • Subclass Indoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: 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
• 설명: 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

화학 및 물리적 특성

• 끓는점(°C): 209°C/19mmHg(lit.)
• 녹는점(°C): 86 °C
• 분자량: 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

자주 묻는 질문

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.