1-(1H-indol-3-yl)ethanamine

Base Information

• Chemical Name: 1-(1H-indol-3-yl)ethanamine
• CAS No.: 19955-83-0
• Molecular Formula: C10H12N2
• Molecular Weight: 160.22
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID90388485
• Mol file: 19955-83-0.mol

Synonyms:1-(1H-indol-3-yl)ethanamine;19955-83-0;[1-(1H-indol-3-yl)ethyl]amine;1-(1H-INDOL-3-YL)-ETHYLAMINE;1-(1H-indol-3-yl)ethan-1-amine;3-(1-aminoethyl)indole;1-(1H-indol-3-yl)ethylamine;SCHEMBL1239890;DTXSID90388485;VBNMNLNTLNOVIT-UHFFFAOYSA-N;MFCD09965855;AKOS005173877;SB35140;BB 0261073;CS-0449228;FT-0683637;EN300-75528;A879921

Chemical Property of 1-(1H-indol-3-yl)ethanamine

Chemical Property:

• PSA: 41.81000
• LogP: 2.88790
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 160.100048391
• Heavy Atom Count: 12
• Complexity: 158

Purity/Quality:

97% ^*data from raw suppliers

[1-(1H-Indol-3-yl)ethyl]amine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C1=CNC2=CC=CC=C21)N

Technology Process of 1-(1H-indol-3-yl)ethanamine

There total 2 articles about 1-(1H-indol-3-yl)ethanamine which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

3-acetylindole (703-80-0) → 1-(1H-indol-3-yl)ethan-1-amine (19955-83-0)

Guidance literature:

With [pentamethylcyclopentadienyl*Ir(N-phenyl-2-pyridinecarboxamidate)Cl]; ammonium formate; In d⁽⁴⁾-methanol; at 37 ℃; for 15h; chemoselective reaction;

DOI:10.1016/j.tetlet.2020.152196

Reference yield:

→ 1-(1H-indol-3-yl)ethan-1-amine (19955-83-0)

Guidance literature:

3-Acetyl-indol III, Al-Amalgam;

DOI:10.1007/BF00568017

Reference yield: 60.0%

5-amino-2-methylbenzoic acid (2840-04-2) + 1-(1H-indol-3-yl)ethan-1-amine (19955-83-0) → N-(1-(1H-indol-3-yl)ethyl)-5-amino-2-methylbenzamide

Guidance literature:

With dmap; triethanolamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate; In dichloromethane; at 20 ℃; Inert atmosphere;

DOI:10.1021/acs.jmedchem.1c01307

upstream raw materials:

3-acetylindole

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