7-Ethyl-3-indoleethanol - ≥98% , CAS No.41340-36-7

CAS: 41340-36-7 Cat. No.: E156325 分子式: C₁₂H₁₅NO 分子量: 189.26 EC番号: 431-020-1

グレード＆純度 ≥98%

Synonyms

BRN 1074382 | 7-Ethyl-3-(2-hydroxyethyl)indole | MFCD01718805 | 2-(3a-ethyl-3aH-indol-3-yl)ethanol | 2-(7-Ethylindol-3-yl)ethanol | 7-Ethyltryptophol | ETODOLAC IMPURITY H [EP IMPURITY] | 3-(7-Ethylindole)ethanol | F20442 | AKOS005259419 | AS-12049 | NCGC

Storage

Room temperature

Shipped In

Normal

仕様

同義語

BRN 1074382 | 7-Ethyl-3-(2-hydroxyethyl)indole | MFCD01718805 | 2-(3a-ethyl-3aH-indol-3-yl)ethanol | 2-(7-Ethylindol-3-yl)ethanol | 7-Ethyltryptophol | ETODOLAC IMPURITY H [EP IMPURITY] | 3-(7-Ethylindole)ethanol | F20442 | AKOS005259419 | AS-12049 | NCGC

仕様と純度

≥98%

保管条件

Room temperature

入荷

Normal

純度

≥98%

名前と識別子

パブケム・シド

488188586

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/488188586

カノニカル・スマイル

CCC1=C2C(=CC=C1)C(=CN2)CCO

IUPAC Name

2-(7-ethyl-1H-indol-3-yl)ethanol

InChIKey

UVSDNCAZVSQJQA-UHFFFAOYSA-N

INCHI

1S/C12H15NO/c1-2-9-4-3-5-11-10(6-7-14)8-13-12(9)11/h3-5,8,13-14H,2,6-7H2,1H3

異性体SMILES

CCC1=C2C(=CC=C1)C(=CN2)CCO

RTECS

NL8512200

分子量

189.26

Reaxy-Rn

1074382

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1074382&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: 3-alkylindoles
• Alternative Parents: Substituted pyrroles Benzenoids Heteroaromatic compounds Azacyclic compounds Primary alcohols Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 3-alkylindole - Benzenoid - Substituted pyrrole - Heteroaromatic compound - Pyrrole - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Organonitrogen compound - Alcohol - Aromatic heteropolycyclic compound
• 説明: This compound belongs to the class of organic compounds known as 3-alkylindoles. These are compounds containing an indole moiety that carries an alkyl chain at the 3-position.
• 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

作用メカニズム

化学的性質と物理的性質

• 融点（°C）: 50 °C
• 分子量: 189.250 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 189.115 Da
• Monoisotopic Mass: 189.115 Da
• Topological Polar Surface Area: 36.000 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 183.000
• 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 is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

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

The CAS Number is 41340-36-7, the molecular formula is C12H15NO, and the molecular weight is 189.26 g/mol. InChIKey UVSDNCAZVSQJQA-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.