Nigragillin

Base Information

Chemical Name:Nigragillin
CAS No.:24779-38-2
Molecular Formula:C13H22N2O
Molecular Weight:222.3266
Hs Code.:
DSSTox Substance ID:DTXSID701141830
Metabolomics Workbench ID:127280
Nikkaji Number:J238.363B
Wikidata:Q105104530

Synonyms:Nigragillin;Nigragilline;24779-38-2;(2E,4E)-1-[(2R,5S)-2,4,5-trimethylpiperazin-1-yl]hexa-2,4-dien-1-one;MLS004256132;CHEBI:133753;DTXSID701141830;SMR003081017;N-Methyl-trans-2,5-dimethyl-N'-sorbylpiperazine;1-[(2E,4E)-Hexa-2,4-dienoyl]-2,4,5-trimethylpiperazine;rel-(+)-(2E,4E)-1-[(2R,5S)-2,4,5-Trimethyl-1-piperazinyl]-2,4-hexadien-1-one;InChI=1/C13H22N2O/c1-5-6-7-8-13(16)15-10-11(2)14(4)9-12(15)3/h5-8,11-12H,9-10H2,1-4H3/b6-5+,8-7+/t11-,12+/m0/s

Suppliers and Price of Nigragillin

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 4 raw suppliers

Chemical Property of Nigragillin

Chemical Property:

Vapor Pressure:3.3E-05mmHg at 25°C
Melting Point:l79-179.5°C
Boiling Point:354.7°Cat760mmHg
Flash Point:145.9°C
PSA：23.55000
Density:0.953g/cm³
LogP:1.54550
XLogP3:1.9
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:222.173213330
Heavy Atom Count:16
Complexity:296

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC=CC=CC(=O)N1CC(N(CC1C)C)C
Isomeric SMILES:C/C=C/C=C/C(=O)N1C[C@@H](N(C[C@H]1C)C)C
Description This piperazine alkaloid occurs in the fungus Aspergillus phoenicis. It is dextro_x0002_rotatory with [α]24D + 107.4° (c 2.5, CHCI3). The base contains three methyl groups, a carbonyl group and a methylimino group. The structure has been determined from spectroscopic data as N-(hexa-2:4-dienoyl)-2:5-Ntrimethylpiperazine.

Technology Process of Nigragillin

There total 2 articles about Nigragillin 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: