1,4,8,11-Tetratosyl-1,4,8,11-tetraazacyclotetradecane

Catalog Number	ACM71089742-1
CAS	71089-74-2
Structure
Synonyms	1,4,8,11-Tetrakis-(4-Methylphenyl)Sulfonyl-1,4,8,11-Tetrazacyclotetradecane
IUPAC Name	1,4,8,11-tetrakis-(4-methylphenyl)sulfonyl-1,4,8,11-tetrazacyclotetradecane
Molecular Weight	817.07
Molecular Formula	C38H48N4O8S4
InChI	OVVMBINCTWKHOS-UHFFFAOYSA-N
InChI Key	InChI=1S/C38H48N4O8S4/c1-31-7-15-35(16-8-31)51(43,44)39-23-5-24-41(53(47,48)37-19-11-33(3)12-20-37)29-30-42(54(49,50)38-21-13-34(4)14-22-38)26-6-25-40(28-27-39)52(45,46)36-17-9-32(2)10-18-36/h7-22H,5-6,23-30H2,1-4H3
Boiling Point	916.9 °C at 760 mmHg
Purity	98%
Isomeric SMILES	CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CCN(CCCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C)S(=O)(=O)C4=CC=C(C=C4)C)S(=O)(=O)C5=CC=C(C=C5)C

Q&A

What is the molecular weight of 1,4,8,11-Tetratosyl-1,4,8,11-tetraazacyclotetradecane?

The molecular weight is 817.07.

What is another name for 1,4,8,11-Tetratosyl-1,4,8,11-tetraazacyclotetradecane?

It is also known as Plerixafor Impurity 42.

What is the chemical formula for 1,4,8,11-Tetratosyl-1,4,8,11-tetraazacyclotetradecane?

The chemical formula is C38H48N4O8S4.

What is the melting point of 1,4,8,11-Tetratosyl-1,4,8,11-tetraazacyclotetradecane?

The melting point is 284-287 °C.

What is the density of 1,4,8,11-Tetratosyl-1,4,8,11-tetraazacyclotetradecane?

The density is 1.303.

What is the pka value of 1,4,8,11-Tetratosyl-1,4,8,11-tetraazacyclotetradecane?

The pka value is predicted to be -6.21±0.20.

What is the predicted boiling point of 1,4,8,11-Tetratosyl-1,4,8,11-tetraazacyclotetradecane?

The predicted boiling point is 916.9±75.0 °C.

How should 1,4,8,11-Tetratosyl-1,4,8,11-tetraazacyclotetradecane be stored?

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

What are some of the synonyms for 1,4,8,11-Tetratosyl-1,4,8,11-tetraazacyclotetradecane?

Some synonyms include Pulesafu impurity 34 and 1,4,8,11-tetrakis-(4-methylphenyl)sulfonyl-1,4,8,11-tetrazacyclotetradecane.

What is the CAS number for 1,4,8,11-Tetratosyl-1,4,8,11-tetraazacyclotetradecane?

The CAS number is 71089-74-2.