Agrocybin

Base Information

Chemical Name:Agrocybin
CAS No.:544-44-5
Molecular Formula:C8H5NO2
Molecular Weight:147.13
Hs Code.:2924199090
NSC Number:636326
UNII:A0AFV4JUIT
DSSTox Substance ID:DTXSID20202786
Nikkaji Number:J6.417C
Wikidata:Q105202835
Metabolomics Workbench ID:60816
ChEMBL ID:CHEMBL1967731
Mol file:544-44-5.mol

Synonyms:Agrocybin;8-hydroxyocta-2,4,6-triynamide;8-Hydroxy-2,4,6-octatriynamide;544-44-5;A0AFV4JUIT;UNII-A0AFV4JUIT;NSC636326;BRN 1761957;2,4,6-OCTATRIYNAMIDE, 8-HYDROXY-;8-Hydroxy-2,4,6-octatriyneoic amide;NSC-636326;4-03-00-01047 (Beilstein Handbook Reference);AGROCYBIN [MI];SCHEMBL1654320;CHEMBL1967731;DTXSID20202786;LMFA08010027;AKOS006341004;LS-98073;NCI60_012071

Suppliers and Price of Agrocybin

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

American Custom Chemicals Corporation
AGROCYBIN 95.00%
5MG
$ 504.66

Total 6 raw suppliers

Chemical Property of Agrocybin

Chemical Property:

Vapor Pressure:2.44E-05mmHg at 25°C
Melting Point:140° (conflagrates)
Boiling Point:321.2°C at 760 mmHg
Flash Point:148°C
PSA：64.31000
Density:1.352g/cm³
LogP:-0.37610
XLogP3:-0.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:147.032028402
Heavy Atom Count:11
Complexity:341

Purity/Quality:

99% ^*data from raw suppliers

AGROCYBIN 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C(C#CC#CC#CC(=O)N)O

Technology Process of Agrocybin

There total 3 articles about Agrocybin 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:

: 7341-96-0
2-propynamide

: 41345-53-3
2,4-pentadiyne-1-ol

: 544-44-5
agrocybin

Guidance literature:: With oxygen; ammonium chloride; copper dichloride; In methanol; water; for 5h; Yield given;
DOI:10.1016/S0031-9422(00)80765-7

Reference yield:

: 78983-04-7
methyl 8-hydroxyocta-2,4,6-triynoate

: 544-44-5
agrocybin

Guidance literature:: With ammonium hydroxide;

Reference yield:

: 41345-53-3
2,4-pentadiyne-1-ol

: 544-44-5
agrocybin

Guidance literature:: Multi-step reaction with 2 steps

1: copper (I)-chloride; ammonium chloride; aqueous hydrogen peroxide / Reagens 4:Aethanol

2: aqueous ammonia

With ammonium hydroxide; ammonium chloride; dihydrogen peroxide; copper(l) chloride;