Tri-tert-butyl 1,4,7,10-tetraazacyclododecane… 122555-91-3

Name: Tri-tert-butyl 1,4,7,10-tetraazacyclododecane-1,4,7-triacetate, 97%
Brand: Vaqora Chemicals
SKU: VQ-000420

About Tri-tert-butyl 1,4,7,10-tetraazacyclododecane-1,4,7-triacetate, 97%

Listed under CAS 122555-91-3, Tri-tert-butyl 1,4,7,10-tetraazacyclododecane-1,4,7-triacetate is an indicator available from Vaqora Chemicals in Puriss grade, specified at 97% purity. Formula C26H50N4O6, molecular weight 514.7 g/mol. Its systematic (IUPAC) name is tert-butyl 2-[4,7-bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetate. Common synonyms include DO3A-t-Bu-ester and DO3A tert-Butyl ester.

In its supplied form it is a white to off-white solid. Store sealed in a dry, well-ventilated location away from incompatible materials. The GHS classification uses the signal word “Warning”, so appropriate gloves, eye protection and ventilation are recommended.

Typical applications include titration end-point detection, pH determination, analytical testing and pharmaceutical synthesis. Typical end-use sectors are academic and industrial research and diagnostics and biotechnology.

Available in 100 mg, 250 mg, 1 g and 5 g packs, Tri-tert-butyl 1,4,7,10-tetraazacyclododecane-1,4,7-triacetate is dispatched with a Certificate of Analysis (COA) to destinations worldwide.

Typical applications

Titration end-point detection
pH determination
Analytical testing
Pharmaceutical synthesis

Industries

Specifications & identifiers

Chemical identifiers
Product name	Tri-tert-butyl 1,4,7,10-tetraazacyclododecane-1,4,7-triacetate, 97%
Catalogue No.	VQ-000420
CAS Number	122555-91-3
IUPAC name	tert-butyl 2-[4,7-bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetate
Molecular formula	C₂₆H₅₀N₄O₆
Molecular weight	514.7 g/mol
Exact mass	514.373
Grade	Puriss
Purity / assay	97%
HSN code	29339900
InChIKey	NMHVTLJFPDOJOD-UHFFFAOYSA-N
SMILES	CC(C)(C)OC(=O)CN1CCNCCN(CCN(CC1)CC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C
PubChem CID	11237632

Physical properties
Physical form	Solid
Appearance	White to off-white solid
LogP (XLogP3)	2.4
H-bond donors / acceptors	1 / 10
TPSA	101 Å²
Synonyms	DO3A-t-Bu-ester, Tri-tert-butyl 1,4,7,10-tetraazacyclododecane-1,4,7-triacetate, DO3A tert-Butyl ester, 1,4,7,10-Tetraazacyclododecane-1,4,7-triacetic acid, 1,4,7-tris(1,1-dimethylethyl) ester, Tri-tert-butyl 2,2',2''-(1,4,7,10-tetraazacyclododecane-1,4,7-triyl)triacetate, tert-Butyl 2-[4,7-bis(2-tert-butoxy-2-oxo-ethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetate, 1,4,7,10-Tetraazacyclododecane-1,4,7-triacetic Acid Tri-tert-butyl Ester, DO3Atert-Butylester, 1,4,7-tris(t-butoxycarbonylmethyl)-1,4,7,10-tetraazacyclododecane, 1,4,7,10-Tetraazacyclododecane-4,7,10-triacetic acid tri-t-butyl ester, 1,4,7,10-Tetraazacyclododecane-4,7,10-triacetic acid tri-t-butyl-ester

Safety & hazard information (GHS)

Harmful / irritant

Signal word: Warning

Hazard statements

H315Causes skin irritation
H319Causes serious eye irritation
H335May cause respiratory irritation

Precautionary statements: P261, P264, P264 + P265, P271, P280, P302 + P352, P304 + P340, P305 + P351 + P338, P319, P321, P332 + P317, P337 + P317, P362 + P364, P403 + P233, P405, P501

Classification is indicative (aggregated GHS notifications) and may vary by grade and concentration. Always refer to the SDS supplied with your lot.

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 Tri-tert-butyl 1,4,7,10-tetraazacyclododecane-1,4,7-triacetate, 97%?

The CAS Registry Number of Tri-tert-butyl 1,4,7,10-tetraazacyclododecane-1,4,7-triacetate, 97% is 122555-91-3. It is also known as DO3A-t-Bu-ester, Tri-tert-butyl 1,4,7,10-tetraazacyclododecane-1,4,7-triacetate, DO3A tert-Butyl ester.

What is the molecular formula and molecular weight of Tri-tert-butyl 1,4,7,10-tetraazacyclododecane-1,4,7-triacetate, 97%?

Tri-tert-butyl 1,4,7,10-tetraazacyclododecane-1,4,7-triacetate, 97% has the molecular formula C26H50N4O6 and a molecular weight of 514.7 g/mol. Its IUPAC name is tert-butyl 2-[4,7-bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetate.

Which grade and pack sizes of Tri-tert-butyl 1,4,7,10-tetraazacyclododecane-1,4,7-triacetate, 97% can I order?

We supply Tri-tert-butyl 1,4,7,10-tetraazacyclododecane-1,4,7-triacetate, 97% in Puriss (97%) grade, in 100 mg, 250 mg, 1 g, 5 g packs. Larger bulk quantities and custom packing are quoted on request.

Do you provide a COA and SDS with Tri-tert-butyl 1,4,7,10-tetraazacyclododecane-1,4,7-triacetate, 97%?

Yes. Every lot of Tri-tert-butyl 1,4,7,10-tetraazacyclododecane-1,4,7-triacetate, 97% 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 Tri-tert-butyl 1,4,7,10-tetraazacyclododecane-1,4,7-triacetate, 97% be shipped internationally?

Yes. Tri-tert-butyl 1,4,7,10-tetraazacyclododecane-1,4,7-triacetate, 97% is classified as hazardous, so it is packed in UN-approved packaging and shipped as dangerous goods under IATA/IMDG rules. We export worldwide on EXW, FOB, CIF and DAP terms.