Tri-tert-butyl 1,4,8,11-tetraazacyclotetradecane-1,4,8-tricarboxylate

Catalog Number	ACM170161270-1
CAS	170161-27-0
Structure
Synonyms	1,4,8-Tri-Boc-1,4,8,11-Tetraazacyclotetradecane; N,N',N''-Tri-Boc-Cyclam
IUPAC Name	tritert-butyl 1,4,8,11-tetrazacyclotetradecane-1,4,8-tricarboxylate
Molecular Weight	500.67
Molecular Formula	C25H48N4O6
InChI	FIPOUUYFPSMVMX-UHFFFAOYSA-N
InChI Key	InChI=1S/C25H48N4O6/c1-23(2,3)33-20(30)27-15-11-16-29(22(32)35-25(7,8)9)19-18-28(14-10-12-26-13-17-27)21(31)34-24(4,5)6/h26H,10-19H2,1-9H3
Boiling Point	570.3±45.0 °C(Predicted)
Melting Point	48-54 °C
Purity	97%
Isomeric SMILES	CC(C)(C)OC(=O)N1CCCNCCN(CCCN(CC1)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C

Q&A

What is the molecular weight of Tri-tert-butyl 1,4,8,11-tetraazacyclotetradecane-1,4,8-tricarboxylate?

The molecular weight is 500.67 g/mol.

What are some synonyms for Tri-tert-butyl 1,4,8,11-tetraazacyclotetradecane-1,4,8-tricarboxylate?

Synonyms include 1,4,8-Tri-Boc-1,4,8,11-tetraazacyclotetradecane, TriBoc-Cyclam, and 1,4,8,11-Tetraazacyclotetradecane-1,4,8-tricarboxylic acid.

What is the chemical formula (MF) of Tri-tert-butyl 1,4,8,11-tetraazacyclotetradecane-1,4,8-tricarboxylate?

The chemical formula is C25H48N4O6.

What is the melting point range of Tri-tert-butyl 1,4,8,11-tetraazacyclotetradecane-1,4,8-tricarboxylate?

The melting point range is 48-54°C.

How is Tri-tert-butyl 1,4,8,11-tetraazacyclotetradecane-1,4,8-tricarboxylate stored?

It is stored under inert gas (nitrogen or Argon) at 2-8°C.

What is the sensitivity of Tri-tert-butyl 1,4,8,11-tetraazacyclotetradecane-1,4,8-tricarboxylate?

It is hygroscopic, meaning it absorbs moisture from the air.

What is the predicted density of Tri-tert-butyl 1,4,8,11-tetraazacyclotetradecane-1,4,8-tricarboxylate?

The predicted density is 1.044±0.06 g/cm3.

What is the predicted pKa value of Tri-tert-butyl 1,4,8,11-tetraazacyclotetradecane-1,4,8-tricarboxylate?

The predicted pKa value is 10.01±0.20.

What is the predicted boiling point of Tri-tert-butyl 1,4,8,11-tetraazacyclotetradecane-1,4,8-tricarboxylate?

The predicted boiling point is 570.3±45.0 °C.

What is another name for Tri-tert-butyl 1,4,8,11-tetraazacyclotetradecane-1,4,8-tricarboxylate used in the context of a specific pharmaceutical impurity?

It is referred to as Plerixafor Impurity 37.