Tris(2-methyl-2-propanyl) 2,2',2''-(10-{2-[(4-aminobutyl)amino]-2-oxoethyl}-1,4,7,10-tetraazacyclododecane-1,4,7-triyl)triacetate | CAS No. 1402393-59-2

Tris(2-methyl-2-propanyl) 2,2',2''-(10-{2-[(4-aminobutyl)amino]-2-oxoethyl}-1,4,7,10-tetraazacyclododecane-1,4,7-triyl)triacetate

Basic Information

CAS Number

1402393-59-2

Molecular Formula

C32H62N6O7

Molecular Weight

642.87 g/mol

AD

Basic Physical Properties

NCCCCNC(=O)CN1CCN(CCN(CCN(CC1)CC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C

InChI

InChI=1S/C32H62N6O7/c1-30(2,3)43-27(40)23-36-16-14-35(22-26(39)34-13-11-10-12-33)15-17-37(24-28(41)44-31(4,5)6)19-21-38(20-18-36)25-29(42)45-32(7,8)9/h10-25,33H2,1-9H3,(H,34,39)

InChIKey

KXBDGFHJRVQRSK-UHFFFAOYSA-N

LogP

1.0882000000000107

Topological Polar Surface Area

146.98000000000002 Ų

Hydrogen Bond Donor/Acceptor

3 / 13

Complexity

880

Synonyms & References

English

  • Tri-tert-butyl 2,2',2''-(10-(2-((4-aminobutyl)amino)-2-oxoethyl)-1,4,7,10-tetraazacyclododecane-1,4,
  • 4-Aminobutyl-DOTA-tris (t-butyl ester)
  • Tri-tert-butyl 2,2',2''-(10-(2-((4-aminobutyl)amino)-2-oxoethyl)-1,4,7,10-tetraazacyclododecane-1,4,7-triyl)triacetate

FAQ

What regulatory guidelines apply to Tris(2-methyl-2-propanyl) 2,2',2''-(10-{2-[(4-aminobutyl)amino]-2-oxoethyl}-1,4,7,10-tetraazacyclododecane-1,4,7-triyl)triacetate (CAS: 1402393-59-2)?

The compound is subject to various regulatory guidelines, including GHS classification, REACH regulations, and FDA/EPA requirements. It is important to check the specific safety data sheet (SDS) for detailed handling, storage, and disposal guidelines. Compliance with local regulations is essential for safe handling and use.

Are there alternatives to Tris(2-methyl-2-propanyl) 2,2',2''-(10-{2-[(4-aminobutyl)amino]-2-oxoethyl}-1,4,7,10-tetraazacyclododecane-1,4,7-triyl)triacetate (CAS: 1402393-59-2) in synthesis?

There are several alternatives that can be used in synthesis, such as various aminocycloalkane derivatives or different acetylating agents. It is advisable to evaluate the specific requirements of the synthetic process to determine the most suitable alternative reagents.

What is the market or research trend for Tris(2-methyl-2-propanyl) 2,2',2''-(10-{2-[(4-aminobutyl)amino]-2-oxoethyl}-1,4,7,10-tetraazacyclododecane-1,4,7-triyl)triacetate (CAS: 1402393-59-2)?

The compound is currently used in niche applications, primarily in the pharmaceutical and fine chemical industries. Research trends suggest growing interest in its potential applications in drug delivery systems and as a chelating agent. Market demand is expected to grow with the advancement of these research fields.

How should waste containing Tris(2-methyl-2-propanyl) 2,2',2''-(10-{2-[(4-aminobutyl)amino]-2-oxoethyl}-1,4,7,10-tetraazacyclododecane-1,4,7-triyl)triacetate (CAS: 1402393-59-2) be handled?

Waste containing the compound should be collected and disposed of according to local regulations. Safe procedures include neutralization, incineration, or professional waste disposal services. Proper environmental protection precautions, such as the use of appropriate personal protective equipment (PPE), should be followed to prevent environmental contamination.

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