1,4,7,10,13,16-Hexamethyl-1,4,7,10,13,16-hexaazacyclooctadecane

• CAS: 79676-97-4
• Catalog Number: ACM79676974
• Category: Other Products
• Molecular Weight: 342.57
• Molecular Formula: C₁₈H₄₂N₆
• Synonyms: HEXAMETHYLHEXACYCLEN;1,4,7,10,13,16-HEXAMETHYL-1,4,7,10,13,16-HEXAAZACYCLOOCTADECANE;1,4,7,10,13,16-hexame.-1,4,7,10,13,16-hexaazacyclooctadec.
• Boiling Point: 140°C0.02mm Hg(lit.)
• Flash Point: >230°F
• Density: 0.944g/mL at 25°C(lit.)
• Hazard Statements: Xi
• Safety Description: 26-36/37

Custom Q&A

What is the molecular formula of 1,4,7,10,13,16-Hexamethyl-1,4,7,10,13,16-hexaazacyclooctadecane?

The molecular formula is C18H42N6.

When was this compound created and last modified?

The compound was created on 2005-09-14 and last modified on 2023-12-30.

What is the IUPAC name of 1,4,7,10,13,16-Hexamethyl-1,4,7,10,13,16-hexaazacyclooctadecane?

The IUPAC name is 1,4,7,10,13,16-hexamethyl-1,4,7,10,13,16-hexazacyclooctadecane.

What is the InChI of this compound?

The InChI is InChI=1S/C18H42N6/c1-19-7-9-20(2)11-13-22(4)15-17-24(6)18-16-23(5)14-12-21(3)10-8-19/h7-18H2,1-6H3.

What is the molecular weight of 1,4,7,10,13,16-Hexamethyl-1,4,7,10,13,16-hexaazacyclooctadecane?

The molecular weight is 342.6 g/mol.

What is the Canonical SMILES representation of this compound?

The Canonical SMILES is CN1CCN(CCN(CCN(CCN(CCN(CC1)C)C)C)C)C.

What is the CAS number of 1,4,7,10,13,16-Hexamethyl-1,4,7,10,13,16-hexaazacyclooctadecane?

The CAS number is 79676-97-4.

How many hydrogen bond acceptors does this compound have?

The compound has 6 hydrogen bond acceptors.

What is the Exact Mass and Monoisotopic Mass of this compound?

The Exact Mass and Monoisotopic Mass are both 342.34709537 g/mol.

Is the Compound Is Canonicalized?

Yes, the compound is canonicalized.

Synthetic Use

Upstream Synthesis Route 1

• 296-35-5
• 50-00-0

• 79676-97-4

Reference: [1]Barrett, Anthony G. M.; Godfrey, Christopher R. A.; Hollinshead, David M.; Prokopiou, Panayiotis A.; Barton, Derek H. R.; et al.
[Journal of the Chemical Society. Perkin transactions I, 1981, p. 1501 - 1509]
[2]Riedel, René; Seel, Andrew G.; Malko, Daniel; Miller, Daniel P.; Sperling, Brendan T.; Choi, Heungjae; Headen, Thomas F.; Zurek, Eva; Porch, Adrian; Kucernak, Anthony; Pyper, Nicholas C.; Edwards, Peter P.; Barrett, Anthony G. M.
[Journal of the American Chemical Society, 2021, vol. 143, # 10, p. 3934 - 3943]