Gabaculine

Base Information

Chemical Name:Gabaculine
CAS No.:59556-29-5
Molecular Formula:C7H9 N O2
Molecular Weight:139.154
Hs Code.:
UNII:3F3ENU341O
DSSTox Substance ID:DTXSID70208233
Nikkaji Number:J12.403F
Wikipedia:Gabaculine
ChEMBL ID:CHEMBL1474486
Mol file:59556-29-5.mol

Synonyms:3-amino-2,3-dihydrobenzoic acid;gabaculin;gabaculine;gabaculine hydrochloride;gabaculine hydrochloride, (+-)-isomer;gabaculine, (+-)-isomer;gabaculine, (-)-isomer

Suppliers and Price of Gabaculine

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 Gabaculine

Chemical Property:

Vapor Pressure:0.000198mmHg at 25°C
Boiling Point:304.6°C at 760 mmHg
Flash Point:138°C
PSA：63.32000
Density:1.255g/cm³
LogP:0.98490
XLogP3:-2.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:139.063328530
Heavy Atom Count:10
Complexity:206

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

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C1C(C=CC=C1C(=O)O)N
Isomeric SMILES:C1[C@@H](C=CC=C1C(=O)O)N

Technology Process of Gabaculine

There total 1 articles about Gabaculine 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: