1,4,7,10,13,16-Hexaazacyclooctadecane

• CAS: 296-35-5
• Catalog Number: ACM296355
• Category: Other Products
• Molecular Weight: 258.414g/mol
• Molecular Formula: C12H30N6
• Synonyms: AMOT0368; FT-0655479; IPS109; TR-012845; Hexacyclen; MCULE-4374893659; 296-35-5; AM85706; ACMC-1CS19; CTK1A4125
• IUPAC Name: 1,4,7,10,13,16-hexazacyclooctadecane
• Canonical SMILES: C1CNCCNCCNCCNCCNCCN1
• InChI: InChI=1S/C12H30N6/c1-2-14-5-6-16-9-10-18-12-11-17-8-7-15-4-3-13-1/h13-18H,1-12H2
• InChI Key: RVJABZUDCPZPPM-UHFFFAOYSA-N
• Complexity: 108
• Covalently-Bonded Unit Count: 1
• EC Number: 206-042-8
• Exact Mass: 258.253g/mol
• H-Bond Acceptor: 6
• H-Bond Donor: 6
• Heavy Atom Count: 18
• Monoisotopic Mass: 258.253g/mol
• Topological Polar Surface Area: 72.2A^2

Synthetic Use

Downstream 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]

* For details of the synthesis route, please refer to the original source to ensure accuracy.