1,4,8,11-Tetraazacyclotetradecane

• Catalog Number: ACM295374-1
• Product Name: 1,4,8,11-Tetraazacyclotetradecane
• CAS: 295-37-4
• Category: Polymer/Macromolecule
• Synonyms: 1,4,8-Tris(trifluoroacetyl)cyclam
• IUPAC Name: 1,4,8,11-tetrazacyclotetradecane
• Molecular Weight: 200.32
• Molecular Formula: C10H24N4
• Canonical SMILES: C1CNCCNCCCNCCNC1
• InChI: MDAXKAUIABOHTD-UHFFFAOYSA-N
• InChI Key: InChI=1S/C10H24N4/c1-3-11-7-9-13-5-2-6-14-10-8-12-4-1/h11-14H,1-10H2
• Boiling Point: 321.1 °C at 760 mmHg
• Melting Point: 184-186 °C-lit.
• Appearance: White crystalline powder
• Complexity: 92.7
• Covalently-Bonded Unit Count: 1
• EC Number: 206-039-1
• Exact Mass: 200.200097g/mol
• Formal Charge: 0
• H-Bond Acceptor: 4
• H-Bond Donor: 4
• Heavy Atom Count: 14
• Isomeric SMILES: C1CNCCNCCCNCCNC1
• Monoisotopic Mass: 200.200097g/mol
• NSC Number: 180811
• Rotatable Bond Count: 0
• XLogP3: -1.6

Custom Q&A

What is the molecular formula of 1,4,8,11-Tetraazacyclotetradecane?

The molecular formula is C10H24N4.

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

The molecular weight is 200.32 g/mol.

What is the IUPAC name of 1,4,8,11-Tetraazacyclotetradecane?

The IUPAC name is 1,4,8,11-tetrazacyclotetradecane.

What is the InChIKey of 1,4,8,11-Tetraazacyclotetradecane?

The InChIKey is MDAXKAUIABOHTD-UHFFFAOYSA-N.

What is the SMILES representation of 1,4,8,11-Tetraazacyclotetradecane?

The SMILES representation is C1CNCCNCCCNCCNC1.

What is the CAS number of 1,4,8,11-Tetraazacyclotetradecane?

The CAS number is 295-37-4.

How many hydrogen bond donor counts does 1,4,8,11-Tetraazacyclotetradecane have?

It has 4 hydrogen bond donor counts.

How many hydrogen bond acceptor counts does 1,4,8,11-Tetraazacyclotetradecane have?

It has 4 hydrogen bond acceptor counts.

How many rotatable bond counts does 1,4,8,11-Tetraazacyclotetradecane have?

It has 0 rotatable bond counts.

What is the topological polar surface area of 1,4,8,11-Tetraazacyclotetradecane?

The topological polar surface area is 48.1Ų.