Propargyl-DOTA-tris(tBu)ester

Name: Propargyl-DOTA-tris(tBu)ester
Brand: Vaqora Chemicals
SKU: VQ-012699

About Propargyl-DOTA-tris(tBu)ester

Propargyl-DOTA-tris(tBu)ester is a heterocyclic building block carrying the CAS registry number 911197-00-7. Formula C31H55N5O7, molecular weight 609.8 g/mol. Common synonyms include 10-[2-oxo-2-(2-propyn-1-ylamino)ethyl]- and 1,4,7-tris(1,1-dimethylethyl) ester.

It is supplied as a white powder. Store it frozen at −20 °C, in a tightly closed container. Handle it with standard laboratory precautions and appropriate personal protective equipment.

Key uses span organic synthesis and API synthesis. Typical end-use sectors are pharmaceutical manufacturing and academic and industrial research.

Standard pack sizes are 100 mg, 500 mg and 1 g, and every batch ships with a Certificate of Analysis (COA) and we export worldwide. A Safety Data Sheet (SDS) and technical specifications are available on request. Larger quantities and custom packaging are available. Request a quote for pricing and lead time. Export shipments are packed to international standards with the required transport documentation.

Typical applications

Organic synthesis
API synthesis

Industries

Specifications & identifiers

Chemical identifiers
Product name	Propargyl-DOTA-tris(tBu)ester
Catalogue No.	VQ-012699
CAS Number	911197-00-7
IUPAC name	tert-butyl 2-[4,7-bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-10-[2-oxo-2-(prop-2-ynylamino)ethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetate
Molecular formula	C₃₁H₅₅N₅O₇
Molecular weight	609.8 g/mol
Exact mass	609.4101
HSN code	2933
InChIKey	KSCCMOOFLZFMFP-UHFFFAOYSA-N
SMILES	CC(C)(C)OC(=O)CN1CCN(CCN(CCN(CC1)CC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C)CC(=O)NCC#C
PubChem CID	138376279

Physical properties
Physical form	Powder
Appearance	White powder
LogP (XLogP3)	2.3
H-bond donors / acceptors	1 / 11
TPSA	121 Å²
Storage	−20 °C
Synonyms	1,4,7,10-Tetraazacyclododecane-1,4,7-triacetic acid, 10-[2-oxo-2-(2-propyn-1-ylamino)ethyl]-, 1,4,7-tris(1,1-dimethylethyl) ester, DOTA-tris(t-Bu)ester-propargyl, DOTA-tris(tBu)-propargyl amide, Propargyl-DOTA-tris(tBu)ester, HPF6 salt

Documents

Safety Data Sheet (SDS)16-section GHS · on request Certificate of AnalysisTypical / batch COA · on request Specification sheetTDS / MOA · on request

Frequently asked questions

What is the CAS number of Propargyl-DOTA-tris(tBu)ester?

The CAS Registry Number of Propargyl-DOTA-tris(tBu)ester is 911197-00-7. It is also known as 1,4,7,10-Tetraazacyclododecane-1,4,7-triacetic acid, 10-[2-oxo-2-(2-propyn-1-ylamino)ethyl]-, 1,4,7-tris(1,1-dimethylethyl) ester.

What is the molecular formula and molecular weight of Propargyl-DOTA-tris(tBu)ester?

Propargyl-DOTA-tris(tBu)ester has the molecular formula C31H55N5O7 and a molecular weight of 609.8 g/mol. Its IUPAC name is tert-butyl 2-[4,7-bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-10-[2-oxo-2-(prop-2-ynylamino)ethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetate.

Which grade and pack sizes of Propargyl-DOTA-tris(tBu)ester can I order?

We supply Propargyl-DOTA-tris(tBu)ester, in 100 mg, 500 mg, 1 g packs. Larger bulk quantities and custom packing are quoted on request.

Do you provide a COA and SDS with Propargyl-DOTA-tris(tBu)ester?

Yes. Every lot of Propargyl-DOTA-tris(tBu)ester is shipped with a batch-specific Certificate of Analysis, and a 16-section GHS Safety Data Sheet is provided with the quotation and the shipment.

Can Propargyl-DOTA-tris(tBu)ester be shipped internationally?

Yes. We export Propargyl-DOTA-tris(tBu)ester worldwide by air and sea freight or express courier, on EXW, FOB, CIF, CFR or DAP Incoterms, with full export documentation.

How should Propargyl-DOTA-tris(tBu)ester be stored?

−20 °C. Keep the container tightly closed and refer to the SDS for full handling guidance.