5-Nitro-N-acetyltryptamine

Base Information

• Chemical Name: 5-Nitro-N-acetyltryptamine
• CAS No.: 96735-08-9
• Molecular Formula: C₁₂H₁₃N₃O₃
• Molecular Weight: 247.254
• DSSTox Substance ID: DTXSID20358636
• Wikidata: Q82139356
• Pharos Ligand ID: 54CTQCA1JA2Z
• ChEMBL ID: CHEMBL443429
• Mol file: 96735-08-9.mol

Synonyms:5-NITRO-N-ACETYLTRYPTAMINE;96735-08-9;N-[2-(5-nitro-1H-indol-3-yl)ethyl]acetamide;CHEMBL443429;N-(2-(5-nitro-1H-indol-3-yl)ethyl)acetamide;N-(2-{5-nitro-1H-indol-3-yl}ethyl)acetamide;starbld0001474;Cambridge id 5119532;Oprea1_678479;SCHEMBL6763861;DTXSID20358636;PKDUVHDAPLRJMS-UHFFFAOYSA-N;BDBM50413647;STK386883;AKOS005431337;CS-0335824;FT-0672744;AH-262/34642040;N-[2-(5-Nitro-1H-indol-3-yl)-ethyl]-acetamide;SR-01000196237;SR-01000196237-1

Chemical Property of 5-Nitro-N-acetyltryptamine

Chemical Property:

• Melting Point: 223-224°C
• PSA: 94.20000
• LogP: 3.11820
• Solubility.: DMSO
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 247.09569129
• Heavy Atom Count: 18
• Complexity: 329

Purity/Quality:

97% ^*data from raw suppliers

5-Nitro-N-acetyltryptamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)NCCC1=CNC2=C1C=C(C=C2)[N+](=O)[O-]
• Uses: 5-Nitro-N-acetyltryptamine (cas# 96735-08-9) is a compound useful in organic synthesis.

Technology Process of 5-Nitro-N-acetyltryptamine

There total 1 articles about 5-Nitro-N-acetyltryptamine 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:

chloroform methanol (7285-11-2) + 2-(5-nitro-1H-indol-3-yl) ethan-1-amine (55747-72-3) → N-[2-(5-Nitro-1H-indol-3-yl)-ethyl]-acetamide (96735-08-9)

Guidance literature:

With acetic anhydride; In pyridine;

upstream raw materials:

chloroform methanol

2-(5-nitro-1H-indol-3-yl) ethan-1-amine

Refernces