(p-SCN-Bn)-dota

Base Information Edit

Chemical Name:(p-SCN-Bn)-dota
CAS No.:127985-74-4
Molecular Formula:C24H33 N5 O8 S
Molecular Weight:551.621
Hs Code.:
UNII:13KT123BYW
DSSTox Substance ID:DTXSID10435844
Nikkaji Number:J2.645.919B
Wikidata:Q27251529
Mol file:127985-74-4.mol

Synonyms:(p-SCN-Bn)-dota;127985-74-4;p-SCN-Bn-DOTA;p-SCN-Bz-dota;UNII-13KT123BYW;13KT123BYW;1,4,7,10-Tetraazacyclododecane-1,4,7,10-tetraaceticacid, 2-[(4-isothiocyanatophenyl)methyl]-;2-[4,7,10-tris(carboxymethyl)-6-[(4-isothiocyanatophenyl)methyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid;1,4,7,10-Tetraazacyclododecane-1,4,7,10-tetraacetic acid, 2-((4-isothiocyanatophenyl)methyl)-;1,4,7,10-Tetraazacyclododecane-1,4,7,10-tetraacetic acid, 2-[(4-isothiocyanatophenyl)methyl]-;SCHEMBL210579;DTXSID10435844;UDOPJKHABYSVIX-UHFFFAOYSA-N;AKOS040756614;MS-30086;HY-114377;CS-0084752;A937127;Q27251529;2-(4-isothiocyanato benzyl)-1,4,7,10 tetraazacyclo dodecane-1,4,7,10-tetraacetic acid;2-(4-isothiocyanatobenzyl)-1,4,7,10-tetraazacyclododecane-1,4,7,10-tetraacetic acid;2-(4-Isothiocyanatobenzyl)-1,4,7,10-tetraazacyclododecane-1,4,7,10-tetrakisacetic acid;s-2-(4-isothiocyanatobenzyl)-1,4,7,10-tetraazacyclododecane tetraacetic acid;1,4,7,10-TETRAAZACYCLODODECANE-1,4,7,10-TETRAACETIC ACID,2-[(4-ISOTHIOCYANATOPHENYL)METHYL]-;2,2',2'',2'''-(2-(4-Isothiocyanatobenzyl)-1,4,7,10-tetraazacyclododecane-1,4,7,10-tetrayl)tetraacetic acid;2,2',2'',2'''-{2-[(4-Isothiocyanatophenyl)methyl]-1,4,7,10-tetraazacyclododecane-1,4,7,10-tetrayl}tetraacetic acid

Suppliers and Price of (p-SCN-Bn)-dota

Supply Marketing:Edit

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

TRC
p-SCN-Bn-DOTA
5mg
$ 140.00

Chemenu
2-[4,7,10-tris(carboxymethyl)-6-[(4-isothiocyanatophenyl)methyl]-1,4,7,10-tetrazacyclododec-1-yl]aceticacid 95%+
100mg
$ 4000.00

Total 30 raw suppliers

Chemical Property of (p-SCN-Bn)-dota Edit

Chemical Property:

Boiling Point:826.9±65.0 °C(Predicted)
PKA:2.46±0.10(Predicted)
PSA：206.61000
Density:1.39±0.1 g/cm3(Predicted)
LogP:-0.35640
XLogP3:-7.2
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:14
Rotatable Bond Count:11
Exact Mass:551.20498420
Heavy Atom Count:38
Complexity:863

Purity/Quality:

99% ^*data from raw suppliers

p-SCN-Bn-DOTA ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1CN(CCN(C(CN(CCN1CC(=O)O)CC(=O)O)CC2=CC=C(C=C2)N=C=S)CC(=O)O)CC(=O)O
Uses p-SCN-Bn-DOTA, is a Bifunctional chelator, that can be used in the preparation of gadolinium complexes as MRI blood contrast agents.

Technology Process of (p-SCN-Bn)-dota

There total 1 articles about (p-SCN-Bn)-dota 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: