1,4,7,10-Tetraazacyclododecane

• Catalog Number: ACM294906
• Product Name: 1,4,7,10-Tetraazacyclododecane
• CAS: 294-90-6
• Category: Polymer/Macromolecule
• Synonyms: MLS000069489; Cyclen, 97%; AJ-75747; BP-21532; CHEBI:37391; KRYPTOFIX 11 AZA; EC 425-450-9; 964584YO2O; AM20090388; NCGC00018128-02
• IUPAC Name: 1,4,7,10-tetrazacyclododecane
• Molecular Weight: 172.276g/mol
• Molecular Formula: C8H20N4
• Canonical SMILES: C1CNCCNCCNCCN1
• InChI: InChI=1S/C8H20N4/c1-2-10-5-6-12-8-7-11-4-3-9-1/h9-12H,1-8H2
• InChI Key: QBPPRVHXOZRESW-UHFFFAOYSA-N
• Application: Macrocyclic aza analogue of the crown ether 12-crown-4. Cyclen compounds are capable of selectively binding cations and are used as a ligand with chemicals used in MRI contrast (as well ass other imaging) agents.
• Storage: Refrigerator
• Complexity: 65.1
• Covalently-Bonded Unit Count: 1
• EC Number: 425-450-9
• Exact Mass: 172.169g/mol
• H-Bond Acceptor: 4
• H-Bond Donor: 4
• Heavy Atom Count: 12
• Monoisotopic Mass: 172.169g/mol
• NSC Number: 629374
• Topological Polar Surface Area: 48.1A^2
• UNII: 964584YO2O

Custom Q&A

What is the molecular formula of 1,4,7,10-tetraazacyclododecane?

The molecular formula of 1,4,7,10-tetraazacyclododecane is C8H20N4.

What is the molecular weight of 1,4,7,10-tetraazacyclododecane?

The molecular weight of 1,4,7,10-tetraazacyclododecane is 172.27 g/mol.

What is the IUPAC name of 1,4,7,10-tetraazacyclododecane?

The IUPAC name of 1,4,7,10-tetraazacyclododecane is 1,4,7,10-tetrazacyclododecane.

What is the InChIKey of 1,4,7,10-tetraazacyclododecane?

The InChIKey of 1,4,7,10-tetraazacyclododecane is QBPPRVHXOZRESW-UHFFFAOYSA-N.

What is the Canonical SMILES of 1,4,7,10-tetraazacyclododecane?

The Canonical SMILES of 1,4,7,10-tetraazacyclododecane is C1CNCCNCCNCCN1.

How many hydrogen bond donor counts does 1,4,7,10-tetraazacyclododecane have?

1,4,7,10-tetraazacyclododecane has 4 hydrogen bond donor counts.

How many hydrogen bond acceptor counts does 1,4,7,10-tetraazacyclododecane have?

1,4,7,10-tetraazacyclododecane has 4 hydrogen bond acceptor counts.

What is the topological polar surface area of 1,4,7,10-tetraazacyclododecane?

The topological polar surface area of 1,4,7,10-tetraazacyclododecane is 48.1Ų.

How many heavy atoms does 1,4,7,10-tetraazacyclododecane have?

1,4,7,10-tetraazacyclododecane has 12 heavy atoms.

What is the formal charge of 1,4,7,10-tetraazacyclododecane?

The formal charge of 1,4,7,10-tetraazacyclododecane is 0.