Cas no 918412-08-5 (1,4,8-Triazacycloundecane, 8-methyl-)
918412-08-5 structure
Product Name:1,4,8-Triazacycloundecane, 8-methyl-
CAS No:918412-08-5
MF:C9H21N3
MW:171.283141851425
CID:776620
PubChem ID:71427311
Update Time:2025-04-19
1,4,8-Triazacycloundecane, 8-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 1,4,8-Triazacycloundecane, 8-methyl-
- 8-methyl-1,4,8-triazacycloundecane
- 918412-08-5
- DTXSID70846053
-
- Inchi： 1S/C9H21N3/c1-12-8-2-4-10-6-7-11-5-3-9-12/h10-11H,2-9H2,1H3
- InChI Key： LQTIYKLAIAPOEL-UHFFFAOYSA-N
- SMILES： N1(C)CCCNCCNCCC1
Computed Properties
- Exact Mass: 171.173547683g/mol
- Monoisotopic Mass: 171.173547683g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 0
- Complexity: 93.9
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -0.1
- Topological Polar Surface Area: 27.3?2
1,4,8-Triazacycloundecane, 8-methyl- Related Literature
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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